NPASS Natural Product

Natural Product: NPC139171

Natural Product ID:	NPC139171
Common Name:	Cochinchinenone
IUPAC Name:	4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dien-1-one
Synonyms:	cochinchinenone
Molecular Formula:	C17H18O6
Standard InCHIKey:	WHNYFVUMAYSMKK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H18O6/c1-22-15-9-13(19)10-16(23-2)17(15,21)8-7-14(20)11-3-5-12(18)6-4-11/h3-6,9-10,18,21H,7-8H2,1-2H3
Canonical SMILES:	COC1=CC(=O)C=C(C1(O)CCC(=O)c1ccc(cc1)O)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO12714	Dracaena cochinchinensis	Species	Asparagaceae	Eukaryota	Stems	Ningming County, Guangxi autonomous region, China	2006-JAN	PMID[17883259]

Biological Activity

Activity Type	# Activity
MIC	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT451	Organism	Helicobacter pylori	Helicobacter pylori	MIC	=	201300	nM	16417306

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 NPC139171 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	183
0.1-0.2	904
0.2-0.3	1948
0.3-0.4	4640
0.4-0.5	8464
0.5-0.6	3512
0.6-0.7	6630
0.7-0.8	4449
0.8-0.85	150
0.85-0.9	9
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8957	High Similarity	NPC470355
0.8783	High Similarity	NPC95172
0.8655	High Similarity	NPC322197
0.8609	High Similarity	NPC226699
0.8583	High Similarity	NPC325646
0.8583	High Similarity	NPC28951
0.8547	High Similarity	NPC116842
0.8522	High Similarity	NPC6984
0.8512	High Similarity	NPC150919
0.8487	Intermediate Similarity	NPC11824
0.8487	Intermediate Similarity	NPC242136
0.8443	Intermediate Similarity	NPC249435
0.8376	Intermediate Similarity	NPC17525
0.8374	Intermediate Similarity	NPC473767
0.8359	Intermediate Similarity	NPC16651
0.8359	Intermediate Similarity	NPC32163
0.8347	Intermediate Similarity	NPC23402
0.8319	Intermediate Similarity	NPC114682
0.8319	Intermediate Similarity	NPC212718
0.8308	Intermediate Similarity	NPC66905
0.8305	Intermediate Similarity	NPC88141
0.8295	Intermediate Similarity	NPC469930
0.8291	Intermediate Similarity	NPC34715
0.8281	Intermediate Similarity	NPC15837
0.8258	Intermediate Similarity	NPC327410
0.8254	Intermediate Similarity	NPC68167
0.825	Intermediate Similarity	NPC231717
0.824	Intermediate Similarity	NPC248363
0.8231	Intermediate Similarity	NPC474998
0.8217	Intermediate Similarity	NPC107672
0.8211	Intermediate Similarity	NPC469954
0.8205	Intermediate Similarity	NPC69332
0.8205	Intermediate Similarity	NPC95178
0.8205	Intermediate Similarity	NPC70843
0.8205	Intermediate Similarity	NPC29989
0.8182	Intermediate Similarity	NPC309717
0.8182	Intermediate Similarity	NPC66384
0.8182	Intermediate Similarity	NPC128348
0.8182	Intermediate Similarity	NPC112192
0.8182	Intermediate Similarity	NPC164236
0.8182	Intermediate Similarity	NPC477407
0.8182	Intermediate Similarity	NPC189106
0.8182	Intermediate Similarity	NPC302844
0.8182	Intermediate Similarity	NPC50763
0.8182	Intermediate Similarity	NPC153453
0.8168	Intermediate Similarity	NPC172673
0.8167	Intermediate Similarity	NPC268388
0.816	Intermediate Similarity	NPC159525
0.8154	Intermediate Similarity	NPC21305
0.8145	Intermediate Similarity	NPC474890
0.8145	Intermediate Similarity	NPC161943
0.8145	Intermediate Similarity	NPC273282
0.8143	Intermediate Similarity	NPC273798
0.814	Intermediate Similarity	NPC473751
0.813	Intermediate Similarity	NPC61062
0.813	Intermediate Similarity	NPC277394
0.813	Intermediate Similarity	NPC299252
0.813	Intermediate Similarity	NPC19290
0.8129	Intermediate Similarity	NPC207732
0.8125	Intermediate Similarity	NPC474803
0.8125	Intermediate Similarity	NPC474766
0.8116	Intermediate Similarity	NPC141817
0.8116	Intermediate Similarity	NPC176030
0.8116	Intermediate Similarity	NPC192597
0.8116	Intermediate Similarity	NPC169214
0.8116	Intermediate Similarity	NPC229218
0.8115	Intermediate Similarity	NPC285350
0.811	Intermediate Similarity	NPC282577
0.811	Intermediate Similarity	NPC164947
0.811	Intermediate Similarity	NPC91478
0.8106	Intermediate Similarity	NPC473777
0.8095	Intermediate Similarity	NPC149246
0.8095	Intermediate Similarity	NPC216216
0.8095	Intermediate Similarity	NPC294361
0.8095	Intermediate Similarity	NPC236520
0.8092	Intermediate Similarity	NPC304622
0.8083	Intermediate Similarity	NPC222905
0.8083	Intermediate Similarity	NPC21162
0.808	Intermediate Similarity	NPC158222
0.8077	Intermediate Similarity	NPC98254
0.8077	Intermediate Similarity	NPC276466
0.8077	Intermediate Similarity	NPC123722
0.8077	Intermediate Similarity	NPC103356
0.8077	Intermediate Similarity	NPC190043
0.8077	Intermediate Similarity	NPC151167
0.8077	Intermediate Similarity	NPC72158
0.8077	Intermediate Similarity	NPC100067
0.8077	Intermediate Similarity	NPC266689
0.8077	Intermediate Similarity	NPC30501
0.8077	Intermediate Similarity	NPC123228
0.8077	Intermediate Similarity	NPC5018
0.8077	Intermediate Similarity	NPC162612
0.8077	Intermediate Similarity	NPC169250
0.8077	Intermediate Similarity	NPC23126
0.8077	Intermediate Similarity	NPC105157
0.8074	Intermediate Similarity	NPC7464
0.8062	Intermediate Similarity	NPC123506
0.8062	Intermediate Similarity	NPC475733
0.806	Intermediate Similarity	NPC27643
0.8058	Intermediate Similarity	NPC46880
0.8058	Intermediate Similarity	NPC239608
0.8058	Intermediate Similarity	NPC46161
0.8051	Intermediate Similarity	NPC188677
0.8047	Intermediate Similarity	NPC14141
0.8047	Intermediate Similarity	NPC164778
0.8047	Intermediate Similarity	NPC257976
0.8047	Intermediate Similarity	NPC242372
0.8047	Intermediate Similarity	NPC474691
0.8047	Intermediate Similarity	NPC4181
0.8047	Intermediate Similarity	NPC174991
0.8045	Intermediate Similarity	NPC239302
0.8043	Intermediate Similarity	NPC472904
0.8034	Intermediate Similarity	NPC120693
0.8034	Intermediate Similarity	NPC261573
0.8034	Intermediate Similarity	NPC8931
0.8031	Intermediate Similarity	NPC295034
0.8031	Intermediate Similarity	NPC120545
0.803	Intermediate Similarity	NPC117609
0.803	Intermediate Similarity	NPC27659
0.803	Intermediate Similarity	NPC247779
0.803	Intermediate Similarity	NPC245395
0.8029	Intermediate Similarity	NPC21350
0.8029	Intermediate Similarity	NPC294330
0.8028	Intermediate Similarity	NPC132810
0.8017	Intermediate Similarity	NPC23332
0.8015	Intermediate Similarity	NPC473017
0.8015	Intermediate Similarity	NPC96024
0.8015	Intermediate Similarity	NPC24394
0.8015	Intermediate Similarity	NPC221777
0.8015	Intermediate Similarity	NPC234175
0.8015	Intermediate Similarity	NPC119542
0.8015	Intermediate Similarity	NPC213603
0.8015	Intermediate Similarity	NPC2596
0.8015	Intermediate Similarity	NPC264022
0.8014	Intermediate Similarity	NPC471970
0.8014	Intermediate Similarity	NPC316769
0.8	Intermediate Similarity	NPC254492
0.8	Intermediate Similarity	NPC144247
0.8	Intermediate Similarity	NPC51037
0.8	Intermediate Similarity	NPC145301
0.8	Intermediate Similarity	NPC62952
0.8	Intermediate Similarity	NPC8745
0.8	Intermediate Similarity	NPC105213
0.8	Intermediate Similarity	NPC469375
0.8	Intermediate Similarity	NPC294679
0.8	Intermediate Similarity	NPC311091
0.8	Intermediate Similarity	NPC280869
0.8	Intermediate Similarity	NPC267846
0.8	Intermediate Similarity	NPC303680
0.8	Intermediate Similarity	NPC179777
0.8	Intermediate Similarity	NPC471033
0.8	Intermediate Similarity	NPC139519
0.8	Intermediate Similarity	NPC110211
0.8	Intermediate Similarity	NPC84076
0.8	Intermediate Similarity	NPC90128
0.8	Intermediate Similarity	NPC208760
0.8	Intermediate Similarity	NPC8493
0.8	Intermediate Similarity	NPC286336
0.8	Intermediate Similarity	NPC204579
0.7986	Intermediate Similarity	NPC312256
0.7985	Intermediate Similarity	NPC139074
0.7985	Intermediate Similarity	NPC213485
0.7985	Intermediate Similarity	NPC474715
0.7985	Intermediate Similarity	NPC477281
0.7985	Intermediate Similarity	NPC19719
0.7985	Intermediate Similarity	NPC4170
0.7985	Intermediate Similarity	NPC263817
0.7985	Intermediate Similarity	NPC477280
0.7985	Intermediate Similarity	NPC40524
0.7984	Intermediate Similarity	NPC83718
0.7984	Intermediate Similarity	NPC199273
0.7984	Intermediate Similarity	NPC273686
0.7984	Intermediate Similarity	NPC131192
0.7984	Intermediate Similarity	NPC312404
0.7983	Intermediate Similarity	NPC141523
0.7971	Intermediate Similarity	NPC477956
0.7971	Intermediate Similarity	NPC28398
0.797	Intermediate Similarity	NPC108553
0.797	Intermediate Similarity	NPC475042
0.7969	Intermediate Similarity	NPC133909
0.7969	Intermediate Similarity	NPC475192
0.7969	Intermediate Similarity	NPC91105
0.7969	Intermediate Similarity	NPC32032
0.7969	Intermediate Similarity	NPC114298
0.7969	Intermediate Similarity	NPC86900
0.7969	Intermediate Similarity	NPC469927
0.7969	Intermediate Similarity	NPC286573
0.7969	Intermediate Similarity	NPC67300
0.7969	Intermediate Similarity	NPC309765
0.7967	Intermediate Similarity	NPC114144
0.7966	Intermediate Similarity	NPC219913
0.7958	Intermediate Similarity	NPC14875
0.7956	Intermediate Similarity	NPC289358
0.7956	Intermediate Similarity	NPC165191
0.7956	Intermediate Similarity	NPC114333
0.7956	Intermediate Similarity	NPC46242
0.7956	Intermediate Similarity	NPC473479
0.7956	Intermediate Similarity	NPC245760
0.7956	Intermediate Similarity	NPC473779
0.7956	Intermediate Similarity	NPC317119

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC139171 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	202
0.1-0.2	798
0.2-0.3	1267
0.3-0.4	2301
0.4-0.5	2443
0.5-0.6	1391
0.6-0.7	641
0.7-0.8	118
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7939	Intermediate Similarity	NPD9494	Approved
0.7937	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.791	Intermediate Similarity	NPD943	Approved
0.7857	Intermediate Similarity	NPD9545	Approved
0.7833	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD3972	Approved
0.7786	Intermediate Similarity	NPD4628	Phase 3
0.7778	Intermediate Similarity	NPD1240	Approved
0.7698	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7681	Intermediate Similarity	NPD1510	Phase 2
0.7664	Intermediate Similarity	NPD1607	Approved
0.7634	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD3764	Approved
0.7626	Intermediate Similarity	NPD2935	Discontinued
0.76	Intermediate Similarity	NPD1241	Discontinued
0.7591	Intermediate Similarity	NPD230	Phase 1
0.7571	Intermediate Similarity	NPD2344	Approved
0.7559	Intermediate Similarity	NPD9493	Approved
0.7557	Intermediate Similarity	NPD9269	Phase 2
0.7551	Intermediate Similarity	NPD4380	Phase 2
0.7483	Intermediate Similarity	NPD2354	Approved
0.7465	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD2932	Approved
0.7448	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD1876	Approved
0.744	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD2859	Approved
0.7436	Intermediate Similarity	NPD2860	Approved
0.7429	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD2799	Discontinued
0.7417	Intermediate Similarity	NPD3882	Suspended
0.74	Intermediate Similarity	NPD2801	Approved
0.7395	Intermediate Similarity	NPD3020	Approved
0.7394	Intermediate Similarity	NPD1549	Phase 2
0.7388	Intermediate Similarity	NPD1164	Approved
0.7388	Intermediate Similarity	NPD1470	Approved
0.7385	Intermediate Similarity	NPD9268	Approved
0.7379	Intermediate Similarity	NPD6799	Approved
0.7368	Intermediate Similarity	NPD7075	Discontinued
0.7365	Intermediate Similarity	NPD7458	Discontinued
0.7361	Intermediate Similarity	NPD2309	Approved
0.7361	Intermediate Similarity	NPD6190	Approved
0.735	Intermediate Similarity	NPD2933	Approved
0.735	Intermediate Similarity	NPD2934	Approved
0.7339	Intermediate Similarity	NPD74	Approved
0.7339	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7339	Intermediate Similarity	NPD9266	Approved
0.7333	Intermediate Similarity	NPD1934	Approved
0.7333	Intermediate Similarity	NPD2798	Approved
0.7329	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7328	Intermediate Similarity	NPD3019	Approved
0.7324	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD1237	Approved
0.7292	Intermediate Similarity	NPD8166	Discontinued
0.7292	Intermediate Similarity	NPD3750	Approved
0.7285	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD3022	Approved
0.728	Intermediate Similarity	NPD3021	Approved
0.7266	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD9264	Approved
0.7258	Intermediate Similarity	NPD9263	Approved
0.7258	Intermediate Similarity	NPD9267	Approved
0.7255	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD2796	Approved
0.7241	Intermediate Similarity	NPD3887	Approved
0.7231	Intermediate Similarity	NPD5536	Phase 2
0.7222	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD1201	Approved
0.7203	Intermediate Similarity	NPD2353	Approved
0.7203	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD6599	Discontinued
0.719	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD4308	Phase 3
0.7172	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD9717	Approved
0.7163	Intermediate Similarity	NPD6651	Approved
0.7153	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD2424	Discontinued
0.7143	Intermediate Similarity	NPD3142	Approved
0.7143	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3140	Approved
0.7143	Intermediate Similarity	NPD1511	Approved
0.7132	Intermediate Similarity	NPD1203	Approved
0.7122	Intermediate Similarity	NPD2313	Discontinued
0.7122	Intermediate Similarity	NPD6798	Discontinued
0.7122	Intermediate Similarity	NPD3268	Approved
0.7114	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD1755	Approved
0.7105	Intermediate Similarity	NPD6801	Discontinued
0.7103	Intermediate Similarity	NPD2800	Approved
0.7092	Intermediate Similarity	NPD447	Suspended
0.7092	Intermediate Similarity	NPD6355	Discontinued
0.7075	Intermediate Similarity	NPD3300	Phase 2
0.7071	Intermediate Similarity	NPD6233	Phase 2
0.7063	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD2684	Approved
0.7055	Intermediate Similarity	NPD7003	Approved
0.7047	Intermediate Similarity	NPD5049	Phase 3
0.7047	Intermediate Similarity	NPD1512	Approved
0.7039	Intermediate Similarity	NPD7411	Suspended
0.7031	Intermediate Similarity	NPD228	Approved
0.7027	Intermediate Similarity	NPD7390	Discontinued
0.702	Intermediate Similarity	NPD3455	Phase 2
0.7015	Intermediate Similarity	NPD3847	Discontinued
0.7014	Intermediate Similarity	NPD5405	Approved
0.7014	Intermediate Similarity	NPD5404	Approved
0.7014	Intermediate Similarity	NPD5406	Approved
0.7014	Intermediate Similarity	NPD5408	Approved
0.7013	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD2797	Approved
0.7	Intermediate Similarity	NPD9281	Approved
0.7	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD3818	Discontinued
0.7	Intermediate Similarity	NPD2629	Approved
0.6992	Remote Similarity	NPD940	Approved
0.6992	Remote Similarity	NPD846	Approved
0.6992	Remote Similarity	NPD1651	Approved
0.6984	Remote Similarity	NPD1358	Approved
0.6981	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD6166	Phase 2
0.6978	Remote Similarity	NPD6832	Phase 2
0.6977	Remote Similarity	NPD7843	Approved
0.6963	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD6232	Discontinued
0.695	Remote Similarity	NPD4062	Phase 3
0.6948	Remote Similarity	NPD7819	Suspended
0.6947	Remote Similarity	NPD255	Approved
0.6947	Remote Similarity	NPD256	Approved
0.6947	Remote Similarity	NPD7157	Approved
0.6944	Remote Similarity	NPD3748	Approved
0.694	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD7473	Discontinued
0.6935	Remote Similarity	NPD1929	Approved
0.6935	Remote Similarity	NPD9261	Approved
0.6935	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6935	Remote Similarity	NPD1930	Approved
0.6934	Remote Similarity	NPD1283	Approved
0.6929	Remote Similarity	NPD7095	Approved
0.6923	Remote Similarity	NPD3749	Approved
0.6912	Remote Similarity	NPD1608	Approved
0.6912	Remote Similarity	NPD1481	Phase 2
0.6912	Remote Similarity	NPD4878	Approved
0.6908	Remote Similarity	NPD824	Approved
0.6903	Remote Similarity	NPD3817	Phase 2
0.6901	Remote Similarity	NPD4307	Phase 2
0.6901	Remote Similarity	NPD825	Approved
0.6901	Remote Similarity	NPD826	Approved
0.6889	Remote Similarity	NPD3023	Approved
0.6889	Remote Similarity	NPD3026	Approved
0.6883	Remote Similarity	NPD7577	Discontinued
0.687	Remote Similarity	NPD5951	Approved
0.687	Remote Similarity	NPD111	Approved
0.6867	Remote Similarity	NPD2533	Approved
0.6867	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6867	Remote Similarity	NPD2534	Approved
0.6867	Remote Similarity	NPD2532	Approved
0.6866	Remote Similarity	NPD3024	Approved
0.6866	Remote Similarity	NPD3025	Approved
0.6864	Remote Similarity	NPD9258	Approved
0.6864	Remote Similarity	NPD9256	Approved
0.686	Remote Similarity	NPD844	Approved
0.6852	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD2346	Discontinued
0.6838	Remote Similarity	NPD1535	Discovery
0.6835	Remote Similarity	NPD257	Approved
0.6835	Remote Similarity	NPD258	Approved
0.6835	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD5647	Approved
0.6833	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD6663	Approved
0.6831	Remote Similarity	NPD520	Approved
0.6829	Remote Similarity	NPD2066	Phase 3
0.6824	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6822	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD4626	Approved
0.681	Remote Similarity	NPD7074	Phase 3
0.6809	Remote Similarity	NPD3027	Phase 3
0.6809	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD2182	Approved
0.6795	Remote Similarity	NPD2296	Approved
0.6794	Remote Similarity	NPD5283	Phase 1
0.6794	Remote Similarity	NPD2234	Approved
0.6794	Remote Similarity	NPD2229	Approved
0.6794	Remote Similarity	NPD2228	Approved
0.6791	Remote Similarity	NPD1894	Discontinued
0.6786	Remote Similarity	NPD5736	Approved
0.6783	Remote Similarity	NPD4060	Phase 1
0.6781	Remote Similarity	NPD1551	Phase 2
0.6781	Remote Similarity	NPD6099	Approved
0.6781	Remote Similarity	NPD6100	Approved
0.6776	Remote Similarity	NPD5403	Approved
0.6772	Remote Similarity	NPD3134	Approved
0.677	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD7993	Clinical (unspecified phase)

Structure

NPC139171 OpenBabel07101719132D 23 24 0 0 1 0 0 0 0 0999 V2000 0.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 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 -3.4641 -0.0000 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 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 C 0 0 0 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 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 5 1 0 0 0 0 3 11 2 0 0 0 0 4 6 2 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 14 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	23655939
ChEMBL	CHEMBL254855
ZINC

Physicochemical Properties

Molecular Weight:	318.11
ALogP:	-1.7177
MLogP:	2.67
XLogP:	0.86
# Rotatable Bonds:	10
Polar Surface Area:	93.06
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	23

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