NPASS Natural Product

Natural Product: NPC227485

Natural Product ID:	NPC227485
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H20O11
Standard InCHIKey:	VYGJDASIWDWDAM-ZJKJAXBQSA-N
Standard InCHI:	InChI=1S/C19H20O11/c20-5-11-15(26)17(28)18(29)19(30-11)13-10(24)4-9(23)12(16(13)27)14(25)6-1-2-7(21)8(22)3-6/h1-4,11,15,17-24,26-29H,5H2/t11-,15-,17+,18-,19+/m1/s1
Canonical SMILES:	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c(c1O)C(=O)c1ccc(c(c1)O)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO29344	Parabenzoin trilobum	NA	NA	NA	UNPD*
NPO29415	Hovenia acerba	Species	Rhamnaceae	Eukaryota	UNPD*
NPO25981	Crinipellis scabella	Species	Marasmiaceae	Eukaryota	UNPD*
NPO28971	Bersama yangambiensis	Species	Melianthaceae	Eukaryota	UNPD*
NPO26192	Cordylanthus kingii	Species	Orobanchaceae	Eukaryota	UNPD*
NPO29127	Cystophora scalaris	Species	Sargassaceae	Eukaryota	UNPD*
NPO29400	Conocephalum japonicum	Species	Conocephalaceae	Eukaryota	UNPD*
NPO13818	Narcissus concolor	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO29004	Ruta pinnata	Species	Rutaceae	Eukaryota	UNPD*
NPO29363	Aconitum nevadense	Species	Ranunculaceae	Eukaryota	UNPD*
NPO29203	Gymnocarpium robertianum	Species	Cystopteridaceae	Eukaryota	UNPD*
NPO30586	Cyclopia genistoides	Species	Fabaceae	Eukaryota	PMID[25419864]
NPO29154	Heliotropium floridum	Species	Heliotropiaceae	Eukaryota	UNPD*
NPO29068	Papilio phorcas	Species	Papilionidae	Eukaryota	UNPD*
NPO28949	Croton cumingii	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO28845	Eragrostis viscosa	Species	Poaceae	Eukaryota	UNPD*
NPO28824	Forsteronia refracta	Species	Apocynaceae	Eukaryota	UNPD*
NPO29530	Kaempferia marginata	Species	Zingiberaceae	Eukaryota	UNPD*
NPO28898	Grewia mollis	Species	Malvaceae	Eukaryota	UNPD*
NPO29189	Castanopsis sclerophylla	Species	Fagaceae	Eukaryota	UNPD*
NPO29510	Aulacocephalus temmincki	Species	Serranidae	Eukaryota	UNPD*
NPO4055	Aspergillus unguis	Species	Aspergillaceae	Eukaryota	UNPD*
NPO4244	Doodia picta	Species	Blechnaceae	Eukaryota	UNPD*
NPO9157	Rubrivivax gelatinosus	Species	NA	Bacteria	UNPD*
NPO3744	Polycephalomyces nipponicus	Species	Ophiocordycipitaceae	Eukaryota	UNPD*
NPO27269	Annona impressivenia	Species	Annonaceae	Eukaryota	UNPD*
NPO29225	Oncoba echinata	Species	Salicaceae	Eukaryota	UNPD*
NPO29314	Mangifera indica	Species	Anacardiaceae	Eukaryota	UNPD*
NPO29142	Kaunia saltensis	Species	Asteraceae	Eukaryota	UNPD*
NPO29242	Salvia dorrii	Species	Lamiaceae	Eukaryota	UNPD*
NPO29381	Trichilia rubescens	Species	Meliaceae	Eukaryota	UNPD*
NPO29488	Sophora angustifolia	Species	Fabaceae	Eukaryota	UNPD*
NPO27743	Aaptos aaptos	Species	Suberitidae	Eukaryota	UNPD*
NPO1245	Eunicella cavolinii	Species	Gorgoniidae	Eukaryota	UNPD*
NPO29450	Streptomyces parvisporogenes	Species	Streptomycetaceae	Bacteria	UNPD*
NPO3340	Fridericia chica	Species	Bignoniaceae	Eukaryota	UNPD*
NPO29446	Stevia polycephala	Species	Asteraceae	Eukaryota	UNPD*
NPO28864	Nauclea officinalis	Species	Rubiaceae	Eukaryota	UNPD*
NPO29047	Disynaphia halimifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO28805	Thymus piperella	Species	Lamiaceae	Eukaryota	UNPD*
NPO28937	Heterotheca grandiflora	Species	Asteraceae	Eukaryota	UNPD*
NPO28784	Alseodaphne corneri	Species	Lauraceae	Eukaryota	UNPD*
NPO28918	Ophiolepis superba	Species	Ophiolepididae	Eukaryota	UNPD*
NPO29292	Teucrium depressum	Species	Lamiaceae	Eukaryota	UNPD*
NPO29276	Juglans nigra	Species	Juglandaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	54	%	25419864

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC227485 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	319
0.1-0.2	1062
0.2-0.3	2193
0.3-0.4	5226
0.4-0.5	7250
0.5-0.6	3481
0.6-0.7	3360
0.7-0.8	4615
0.8-0.85	2091
0.85-0.9	1151
0.9-0.95	141
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9342	High Similarity	NPC117418
0.9342	High Similarity	NPC53545
0.929	High Similarity	NPC471788
0.9276	High Similarity	NPC291508
0.9276	High Similarity	NPC474055
0.9276	High Similarity	NPC472598
0.9272	High Similarity	NPC321779
0.9267	High Similarity	NPC323626
0.9267	High Similarity	NPC324233
0.9226	High Similarity	NPC124038
0.9221	High Similarity	NPC471499
0.9221	High Similarity	NPC289771
0.9221	High Similarity	NPC228383
0.9221	High Similarity	NPC472634
0.9221	High Similarity	NPC26326
0.9221	High Similarity	NPC142252
0.9216	High Similarity	NPC22192
0.9211	High Similarity	NPC278778
0.9211	High Similarity	NPC35038
0.9211	High Similarity	NPC291878
0.9211	High Similarity	NPC195796
0.9205	High Similarity	NPC192083
0.9205	High Similarity	NPC213896
0.9195	High Similarity	NPC89442
0.9172	High Similarity	NPC260266
0.9161	High Similarity	NPC476247
0.9161	High Similarity	NPC474034
0.9161	High Similarity	NPC472635
0.9161	High Similarity	NPC220912
0.9161	High Similarity	NPC474033
0.9156	High Similarity	NPC470326
0.9156	High Similarity	NPC287328
0.9156	High Similarity	NPC282009
0.9156	High Similarity	NPC472631
0.9156	High Similarity	NPC472630
0.915	High Similarity	NPC78103
0.915	High Similarity	NPC27337
0.9145	High Similarity	NPC470327
0.9145	High Similarity	NPC230149
0.9145	High Similarity	NPC168247
0.9145	High Similarity	NPC117992
0.9145	High Similarity	NPC45849
0.9145	High Similarity	NPC200761
0.9145	High Similarity	NPC57674
0.9145	High Similarity	NPC477503
0.9145	High Similarity	NPC152951
0.9139	High Similarity	NPC106976
0.9133	High Similarity	NPC177308
0.9133	High Similarity	NPC124478
0.9108	High Similarity	NPC119589
0.9108	High Similarity	NPC13481
0.9108	High Similarity	NPC207575
0.9097	High Similarity	NPC134783
0.9097	High Similarity	NPC472632
0.9097	High Similarity	NPC474038
0.9097	High Similarity	NPC266314
0.9091	High Similarity	NPC250214
0.9091	High Similarity	NPC95936
0.9085	High Similarity	NPC472626
0.9085	High Similarity	NPC470328
0.9085	High Similarity	NPC209614
0.9079	High Similarity	NPC33051
0.9079	High Similarity	NPC70433
0.9079	High Similarity	NPC246328
0.9079	High Similarity	NPC74924
0.9079	High Similarity	NPC227337
0.9079	High Similarity	NPC18727
0.9079	High Similarity	NPC27532
0.9079	High Similarity	NPC298692
0.9079	High Similarity	NPC325028
0.9079	High Similarity	NPC273462
0.9079	High Similarity	NPC49402
0.9079	High Similarity	NPC256346
0.9073	High Similarity	NPC256406
0.9067	High Similarity	NPC1612
0.9067	High Similarity	NPC183959
0.9067	High Similarity	NPC38545
0.9067	High Similarity	NPC171916
0.9048	High Similarity	NPC121573
0.9048	High Similarity	NPC190587
0.9048	High Similarity	NPC22176
0.9048	High Similarity	NPC226738
0.9045	High Similarity	NPC108433
0.9045	High Similarity	NPC472277
0.9045	High Similarity	NPC165720
0.9045	High Similarity	NPC300053
0.9032	High Similarity	NPC36217
0.9032	High Similarity	NPC118256
0.9032	High Similarity	NPC174953
0.9032	High Similarity	NPC192686
0.9032	High Similarity	NPC328102
0.9032	High Similarity	NPC475784
0.9032	High Similarity	NPC321399
0.9032	High Similarity	NPC119209
0.9032	High Similarity	NPC472624
0.9026	High Similarity	NPC471209
0.9026	High Similarity	NPC99597
0.9026	High Similarity	NPC36852
0.9026	High Similarity	NPC474836
0.9026	High Similarity	NPC299520
0.9026	High Similarity	NPC475267
0.9026	High Similarity	NPC129684
0.9026	High Similarity	NPC156057
0.9026	High Similarity	NPC474208
0.9026	High Similarity	NPC162869
0.9026	High Similarity	NPC48208
0.9026	High Similarity	NPC210084
0.9026	High Similarity	NPC223787
0.9026	High Similarity	NPC262286
0.9026	High Similarity	NPC78225
0.9026	High Similarity	NPC52530
0.902	High Similarity	NPC39184
0.902	High Similarity	NPC256925
0.902	High Similarity	NPC226025
0.902	High Similarity	NPC113906
0.902	High Similarity	NPC134287
0.902	High Similarity	NPC130589
0.9013	High Similarity	NPC61506
0.9013	High Similarity	NPC246162
0.9013	High Similarity	NPC36835
0.9013	High Similarity	NPC240476
0.9013	High Similarity	NPC260491
0.9013	High Similarity	NPC257648
0.9013	High Similarity	NPC219582
0.9013	High Similarity	NPC302950
0.9013	High Similarity	NPC19721
0.9013	High Similarity	NPC477231
0.9013	High Similarity	NPC236637
0.9013	High Similarity	NPC9743
0.9007	High Similarity	NPC472279
0.9	High Similarity	NPC188679
0.9	High Similarity	NPC81332
0.9	High Similarity	NPC203077
0.9	High Similarity	NPC166036
0.9	High Similarity	NPC262580
0.9	High Similarity	NPC289396
0.9	High Similarity	NPC321011
0.9	High Similarity	NPC294852
0.9	High Similarity	NPC212038
0.9	High Similarity	NPC271848
0.9	High Similarity	NPC238279
0.8987	High Similarity	NPC471213
0.8981	High Similarity	NPC205265
0.8981	High Similarity	NPC472281
0.8981	High Similarity	NPC472625
0.8981	High Similarity	NPC18100
0.8981	High Similarity	NPC88043
0.8974	High Similarity	NPC471212
0.8974	High Similarity	NPC471210
0.8974	High Similarity	NPC158188
0.8974	High Similarity	NPC308992
0.8974	High Similarity	NPC471211
0.8968	High Similarity	NPC204879
0.8968	High Similarity	NPC210459
0.8968	High Similarity	NPC473990
0.8961	High Similarity	NPC471500
0.8961	High Similarity	NPC472916
0.8961	High Similarity	NPC201837
0.8961	High Similarity	NPC474638
0.8961	High Similarity	NPC78492
0.8961	High Similarity	NPC255106
0.8961	High Similarity	NPC472455
0.8961	High Similarity	NPC208152
0.8961	High Similarity	NPC138243
0.8961	High Similarity	NPC250922
0.8961	High Similarity	NPC191146
0.8961	High Similarity	NPC13858
0.8961	High Similarity	NPC68093
0.8961	High Similarity	NPC320825
0.8961	High Similarity	NPC235165
0.8961	High Similarity	NPC326037
0.8954	High Similarity	NPC250557
0.8954	High Similarity	NPC124714
0.8954	High Similarity	NPC141212
0.8947	High Similarity	NPC209846
0.8947	High Similarity	NPC477897
0.8947	High Similarity	NPC263384
0.8947	High Similarity	NPC289774
0.8947	High Similarity	NPC471676
0.8947	High Similarity	NPC244577
0.8947	High Similarity	NPC204515
0.8947	High Similarity	NPC472420
0.8947	High Similarity	NPC31363
0.8947	High Similarity	NPC472422
0.8947	High Similarity	NPC328740
0.894	High Similarity	NPC139293
0.894	High Similarity	NPC142876
0.894	High Similarity	NPC333691
0.894	High Similarity	NPC40290
0.894	High Similarity	NPC105512
0.894	High Similarity	NPC264550
0.894	High Similarity	NPC195763
0.894	High Similarity	NPC264289
0.894	High Similarity	NPC69430
0.894	High Similarity	NPC200060
0.8933	High Similarity	NPC476463
0.8933	High Similarity	NPC188074
0.8933	High Similarity	NPC95864
0.8933	High Similarity	NPC125449
0.8931	High Similarity	NPC243877

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC227485 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	310
0.1-0.2	814
0.2-0.3	1568
0.3-0.4	2651
0.4-0.5	2046
0.5-0.6	1138
0.6-0.7	448
0.7-0.8	137
0.8-0.85	33
0.85-0.9	13
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9205	High Similarity	NPD2393	Clinical (unspecified phase)
0.9133	High Similarity	NPD4380	Phase 2
0.9013	High Similarity	NPD1934	Approved
0.8812	High Similarity	NPD3818	Discontinued
0.8805	High Similarity	NPD6167	Clinical (unspecified phase)
0.8805	High Similarity	NPD6166	Phase 2
0.8805	High Similarity	NPD6168	Clinical (unspecified phase)
0.8718	High Similarity	NPD4868	Clinical (unspecified phase)
0.871	High Similarity	NPD2801	Approved
0.8681	High Similarity	NPD943	Approved
0.8609	High Similarity	NPD1511	Approved
0.8599	High Similarity	NPD3882	Suspended
0.8589	High Similarity	NPD7074	Phase 3
0.8544	High Similarity	NPD7075	Discontinued
0.8544	High Similarity	NPD4381	Clinical (unspecified phase)
0.8528	High Similarity	NPD7054	Approved
0.8497	Intermediate Similarity	NPD1512	Approved
0.8476	Intermediate Similarity	NPD7472	Approved
0.8438	Intermediate Similarity	NPD5494	Approved
0.8434	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8424	Intermediate Similarity	NPD6797	Phase 2
0.84	Intermediate Similarity	NPD1549	Phase 2
0.8373	Intermediate Similarity	NPD7251	Discontinued
0.8354	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD6232	Discontinued
0.8333	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8322	Intermediate Similarity	NPD1510	Phase 2
0.8313	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8312	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8302	Intermediate Similarity	NPD3817	Phase 2
0.8293	Intermediate Similarity	NPD7473	Discontinued
0.8291	Intermediate Similarity	NPD6801	Discontinued
0.8243	Intermediate Similarity	NPD230	Phase 1
0.8239	Intermediate Similarity	NPD7819	Suspended
0.8235	Intermediate Similarity	NPD6190	Approved
0.8214	Intermediate Similarity	NPD7808	Phase 3
0.8193	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8187	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8155	Intermediate Similarity	NPD6559	Discontinued
0.8113	Intermediate Similarity	NPD7411	Suspended
0.8084	Intermediate Similarity	NPD5844	Phase 1
0.8079	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8075	Intermediate Similarity	NPD5402	Approved
0.8054	Intermediate Similarity	NPD1240	Approved
0.8049	Intermediate Similarity	NPD6959	Discontinued
0.8026	Intermediate Similarity	NPD2796	Approved
0.8012	Intermediate Similarity	NPD1465	Phase 2
0.7961	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD1607	Approved
0.7933	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD1613	Approved
0.7898	Intermediate Similarity	NPD6799	Approved
0.7862	Intermediate Similarity	NPD5403	Approved
0.7816	Intermediate Similarity	NPD8150	Discontinued
0.7798	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD2935	Discontinued
0.7785	Intermediate Similarity	NPD7390	Discontinued
0.774	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD5401	Approved
0.7736	Intermediate Similarity	NPD2533	Approved
0.7736	Intermediate Similarity	NPD2532	Approved
0.7736	Intermediate Similarity	NPD2534	Approved
0.7736	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD3027	Phase 3
0.7727	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7725	Intermediate Similarity	NPD1247	Approved
0.7716	Intermediate Similarity	NPD6599	Discontinued
0.7667	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD3926	Phase 2
0.7628	Intermediate Similarity	NPD7266	Discontinued
0.7619	Intermediate Similarity	NPD9269	Phase 2
0.7605	Intermediate Similarity	NPD6234	Discontinued
0.7605	Intermediate Similarity	NPD919	Approved
0.76	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD7768	Phase 2
0.758	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7557	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD6534	Approved
0.7556	Intermediate Similarity	NPD6535	Approved
0.7545	Intermediate Similarity	NPD3749	Approved
0.7543	Intermediate Similarity	NPD8313	Approved
0.7543	Intermediate Similarity	NPD8312	Approved
0.7541	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD2800	Approved
0.7515	Intermediate Similarity	NPD37	Approved
0.75	Intermediate Similarity	NPD7228	Approved
0.75	Intermediate Similarity	NPD3751	Discontinued
0.7485	Intermediate Similarity	NPD4965	Approved
0.7485	Intermediate Similarity	NPD4966	Approved
0.7485	Intermediate Similarity	NPD4967	Phase 2
0.7485	Intermediate Similarity	NPD1653	Approved
0.7484	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD3750	Approved
0.7484	Intermediate Similarity	NPD6651	Approved
0.7484	Intermediate Similarity	NPD4628	Phase 3
0.7471	Intermediate Similarity	NPD5953	Discontinued
0.7467	Intermediate Similarity	NPD1470	Approved
0.7452	Intermediate Similarity	NPD1551	Phase 2
0.7446	Intermediate Similarity	NPD6778	Approved
0.7446	Intermediate Similarity	NPD6780	Approved
0.7446	Intermediate Similarity	NPD6782	Approved
0.7446	Intermediate Similarity	NPD6781	Approved
0.7446	Intermediate Similarity	NPD6776	Approved
0.7446	Intermediate Similarity	NPD6777	Approved
0.7446	Intermediate Similarity	NPD6779	Approved
0.7439	Intermediate Similarity	NPD3226	Approved
0.7432	Intermediate Similarity	NPD7699	Phase 2
0.7432	Intermediate Similarity	NPD7700	Phase 2
0.7429	Intermediate Similarity	NPD7685	Pre-registration
0.7423	Intermediate Similarity	NPD920	Approved
0.7407	Intermediate Similarity	NPD8151	Discontinued
0.7407	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD9494	Approved
0.7368	Intermediate Similarity	NPD3787	Discontinued
0.7356	Intermediate Similarity	NPD7286	Phase 2
0.7347	Intermediate Similarity	NPD9268	Approved
0.7342	Intermediate Similarity	NPD5404	Approved
0.7342	Intermediate Similarity	NPD5405	Approved
0.7342	Intermediate Similarity	NPD5406	Approved
0.7342	Intermediate Similarity	NPD5408	Approved
0.7338	Intermediate Similarity	NPD2313	Discontinued
0.7326	Intermediate Similarity	NPD7435	Discontinued
0.7315	Intermediate Similarity	NPD1201	Approved
0.731	Intermediate Similarity	NPD7199	Phase 2
0.7308	Intermediate Similarity	NPD6212	Phase 3
0.7308	Intermediate Similarity	NPD6213	Phase 3
0.7308	Intermediate Similarity	NPD6214	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD447	Suspended
0.7296	Intermediate Similarity	NPD2346	Discontinued
0.7288	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7287	Intermediate Similarity	NPD8319	Approved
0.7287	Intermediate Similarity	NPD8320	Phase 1
0.7284	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD2799	Discontinued
0.7267	Intermediate Similarity	NPD5710	Approved
0.7267	Intermediate Similarity	NPD5711	Approved
0.7239	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD7697	Approved
0.7234	Intermediate Similarity	NPD7696	Phase 3
0.7234	Intermediate Similarity	NPD7698	Approved
0.7226	Intermediate Similarity	NPD3764	Approved
0.7226	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD8434	Phase 2
0.7219	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7584	Approved
0.7205	Intermediate Similarity	NPD1243	Approved
0.72	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7196	Intermediate Similarity	NPD7870	Phase 2
0.7196	Intermediate Similarity	NPD7871	Phase 2
0.7188	Intermediate Similarity	NPD2344	Approved
0.7181	Intermediate Similarity	NPD6823	Phase 2
0.7174	Intermediate Similarity	NPD4363	Phase 3
0.7174	Intermediate Similarity	NPD4360	Phase 2
0.7173	Intermediate Similarity	NPD7701	Phase 2
0.717	Intermediate Similarity	NPD3748	Approved
0.7162	Intermediate Similarity	NPD9545	Approved
0.716	Intermediate Similarity	NPD8166	Discontinued
0.7126	Intermediate Similarity	NPD3455	Phase 2
0.7126	Intermediate Similarity	NPD5242	Approved
0.7126	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD6099	Approved
0.7125	Intermediate Similarity	NPD6100	Approved
0.7124	Intermediate Similarity	NPD1164	Approved
0.7118	Intermediate Similarity	NPD5353	Approved
0.7115	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7098	Intermediate Similarity	NPD7874	Approved
0.7098	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD1933	Approved
0.7062	Intermediate Similarity	NPD7801	Approved
0.7059	Intermediate Similarity	NPD8455	Phase 2
0.7055	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD7240	Approved
0.7037	Intermediate Similarity	NPD2424	Discontinued
0.7027	Intermediate Similarity	NPD9493	Approved
0.7024	Intermediate Similarity	NPD7458	Discontinued
0.7013	Intermediate Similarity	NPD1203	Approved
0.7012	Intermediate Similarity	NPD2309	Approved
0.7	Intermediate Similarity	NPD6844	Discontinued
0.6987	Remote Similarity	NPD6832	Phase 2
0.6987	Remote Similarity	NPD4908	Phase 1
0.6979	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6975	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD1610	Phase 2
0.6974	Remote Similarity	NPD7783	Phase 2
0.697	Remote Similarity	NPD3300	Phase 2
0.6968	Remote Similarity	NPD2798	Approved
0.6957	Remote Similarity	NPD7033	Discontinued
0.6941	Remote Similarity	NPD6385	Approved
0.6941	Remote Similarity	NPD6386	Approved
0.6913	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD3823	Discontinued

Structure

CID227485 OpenBabel06191716022D 30 32 0 0 1 0 0 0 0 0999 V2000 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 20 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 10 24 1 0 0 0 0 11 5 1 6 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 14 25 2 0 0 0 0 15 17 1 0 0 0 0 15 26 1 1 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 6 0 0 0 18 19 1 0 0 0 0 18 29 1 1 0 0 0 19 13 1 6 0 0 0 19 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3358631
ZINC

Physicochemical Properties

Molecular Weight:	424.10
ALogP:	-4.801
MLogP:	2.34
XLogP:	-1.192
# Rotatable Bonds:	13
Polar Surface Area:	208.37
# H-Bond Aceptor:	6
# H-Bond Donor:	9
# Rings:	3
# Heavy Atoms:	30

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