NPASS Natural Product

Natural Product: NPC204879

Natural Product ID:	NPC204879
Common Name:	5-O-Methylxanthone V1
IUPAC Name:	5,9-dihydroxy-10-methoxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
Synonyms:	5-O-Methylxanthone V1
Molecular Formula:	C24H24O6
Standard InCHIKey:	PZHQEWQFKUTZTQ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C24H24O6/c1-12(2)6-7-15-20-14(10-11-24(3,4)30-20)19(27)17-18(26)13-8-9-16(25)23(28-5)22(13)29-21(15)17/h6,8-11,25,27H,7H2,1-5H3
Canonical SMILES:	COc1c(O)ccc2c1oc1c(CC=C(C)C)c3OC(C)(C)C=Cc3c(c1c2=O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO11770	Amphicome emodi	NA	NA	NA		UNPD*
NPO19359	Parmotrema delicatulum	Species	Parmeliaceae	Eukaryota		UNPD*
NPO15534	Parablechnum procerum	Species	Blechnaceae	Eukaryota		UNPD*
NPO16038	Ribes rubrum	Species	Grossulariaceae	Eukaryota		UNPD*
NPO13990	Montanoa atriplicifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO18657	Galanthus gracilis	Species	Amaryllidaceae	Eukaryota		UNPD*
NPO20927	Scirpophaga incertulas	Species	Crambidae	Eukaryota		UNPD*
NPO6106	Hymeniacidon perlevis	Species	Halichondriidae	Eukaryota		UNPD*
NPO825	Stranvaesia davidiana	Species	Rosaceae	Eukaryota		UNPD*
NPO18005	Artemisia leucodes	Species	Asteraceae	Eukaryota		UNPD*
NPO16745	Scorzonera judaica	Species	Asteraceae	Eukaryota		UNPD*
NPO19764	Tithonia diversifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO18995	Gaultheria itoana	Species	Ericaceae	Eukaryota		UNPD*
NPO19560	Populus italica	Species	Salicaceae	Eukaryota		UNPD*
NPO21675	Persicaria sibirica	Species	Polygonaceae	Eukaryota		UNPD*
NPO17438	Polygala virgata	Species	Polygalaceae	Eukaryota		UNPD*
NPO9520	Cratoxylum sumatranum	Species	Hypericaceae	Eukaryota		UNPD*
NPO19000	Crepis crocea	Species	Asteraceae	Eukaryota		UNPD*
NPO21003	Cystoseira tamariscifolia	Species	Sargassaceae	Eukaryota		UNPD*
NPO13263	Verbena brasiliensis	Species	Verbenaceae	Eukaryota		UNPD*
NPO20116	Ilex cornuta	Species	Aquifoliaceae	Eukaryota		UNPD*
NPO14950	Ardisia polycephala	Species	Primulaceae	Eukaryota		UNPD*
NPO24016	Cladanthus mixtus	Species	Asteraceae	Eukaryota		UNPD*
NPO16024	Piper sumatranum	Species	Piperaceae	Eukaryota		UNPD*
NPO3338	Vatica obscura	Species	Dipterocarpaceae	Eukaryota		UNPD*
NPO27328	Echinopsis candicans	Species	Cactaceae	Eukaryota		UNPD*
NPO19501	Pseudosuberites hyalinus	Species	Suberitidae	Eukaryota		UNPD*
NPO19227	Hippoglossus hippoglossus	Species	Pleuronectidae	Eukaryota		UNPD*
NPO32914	garcinia propinqua	Species	Clusiaceae	Eukaryota	Twigs	PMID[22963193]
NPO9019	Asplenium antiquum	Species	Aspleniaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
MIC	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	128	ug/ml	22963193
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	MIC	=	128	ug/ml	22963193

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 NPC204879 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	328
0.1-0.2	1248
0.2-0.3	2520
0.3-0.4	6450
0.4-0.5	6503
0.5-0.6	2479
0.6-0.7	3360
0.7-0.8	4135
0.8-0.85	1740
0.85-0.9	1341
0.9-0.95	710
0.95-1	75

Similarity Score	Similarity Level	Natural Product ID
0.9933	High Similarity	NPC474681
0.9933	High Similarity	NPC218313
0.9867	High Similarity	NPC5322
0.9867	High Similarity	NPC472455
0.9867	High Similarity	NPC6633
0.9867	High Similarity	NPC133970
0.9804	High Similarity	NPC472448
0.9804	High Similarity	NPC83922
0.9801	High Similarity	NPC52889
0.98	High Similarity	NPC117992
0.98	High Similarity	NPC152951
0.98	High Similarity	NPC230149
0.98	High Similarity	NPC57674
0.98	High Similarity	NPC234255
0.98	High Similarity	NPC168247
0.98	High Similarity	NPC472280
0.98	High Similarity	NPC256925
0.98	High Similarity	NPC200246
0.9739	High Similarity	NPC29876
0.9739	High Similarity	NPC57715
0.9739	High Similarity	NPC234644
0.9739	High Similarity	NPC167678
0.9737	High Similarity	NPC74178
0.9737	High Similarity	NPC184755
0.9735	High Similarity	NPC470600
0.9733	High Similarity	NPC273462
0.9733	High Similarity	NPC33051
0.9733	High Similarity	NPC227337
0.9733	High Similarity	NPC49402
0.9733	High Similarity	NPC70433
0.9675	High Similarity	NPC474150
0.9675	High Similarity	NPC474162
0.9673	High Similarity	NPC204290
0.9673	High Similarity	NPC119209
0.9673	High Similarity	NPC188433
0.9673	High Similarity	NPC476980
0.9673	High Similarity	NPC192686
0.9673	High Similarity	NPC118256
0.9673	High Similarity	NPC471973
0.9667	High Similarity	NPC237994
0.961	High Similarity	NPC259456
0.961	High Similarity	NPC134783
0.961	High Similarity	NPC474038
0.9605	High Similarity	NPC471985
0.9605	High Similarity	NPC282307
0.9605	High Similarity	NPC170026
0.96	High Similarity	NPC154345
0.9551	High Similarity	NPC275780
0.9551	High Similarity	NPC472450
0.9551	High Similarity	NPC239752
0.9548	High Similarity	NPC474033
0.9548	High Similarity	NPC474034
0.9548	High Similarity	NPC261470
0.9545	High Similarity	NPC475784
0.9545	High Similarity	NPC474960
0.9542	High Similarity	NPC187745
0.9542	High Similarity	NPC78225
0.9542	High Similarity	NPC262286
0.9542	High Similarity	NPC180011
0.9542	High Similarity	NPC284820
0.9542	High Similarity	NPC136674
0.9542	High Similarity	NPC219867
0.9542	High Similarity	NPC304008
0.9542	High Similarity	NPC27337
0.9542	High Similarity	NPC473272
0.9542	High Similarity	NPC161960
0.9542	High Similarity	NPC291508
0.9542	High Similarity	NPC36852
0.9542	High Similarity	NPC476981
0.9536	High Similarity	NPC39732
0.9536	High Similarity	NPC257648
0.9536	High Similarity	NPC477231
0.9536	High Similarity	NPC60972
0.9536	High Similarity	NPC471982
0.9533	High Similarity	NPC29231
0.9494	High Similarity	NPC288813
0.949	High Similarity	NPC39091
0.9487	High Similarity	NPC189473
0.9487	High Similarity	NPC303460
0.9487	High Similarity	NPC124038
0.9487	High Similarity	NPC186686
0.9487	High Similarity	NPC23298
0.9487	High Similarity	NPC472625
0.9487	High Similarity	NPC306321
0.9484	High Similarity	NPC471210
0.9484	High Similarity	NPC26326
0.9484	High Similarity	NPC472632
0.9484	High Similarity	NPC258331
0.9477	High Similarity	NPC278778
0.9477	High Similarity	NPC138243
0.9477	High Similarity	NPC195796
0.9477	High Similarity	NPC191146
0.9477	High Similarity	NPC291878
0.9477	High Similarity	NPC35038
0.9477	High Similarity	NPC115853
0.9477	High Similarity	NPC68093
0.9474	High Similarity	NPC170492
0.947	High Similarity	NPC31363
0.947	High Similarity	NPC256406
0.9427	High Similarity	NPC300053
0.9427	High Similarity	NPC303174
0.9427	High Similarity	NPC108433
0.9427	High Similarity	NPC50960
0.9427	High Similarity	NPC62261
0.9423	High Similarity	NPC229632
0.9423	High Similarity	NPC476247
0.9423	High Similarity	NPC329760
0.9419	High Similarity	NPC28241
0.9419	High Similarity	NPC328102
0.9419	High Similarity	NPC472624
0.9419	High Similarity	NPC174953
0.9416	High Similarity	NPC474055
0.9416	High Similarity	NPC67876
0.9416	High Similarity	NPC129684
0.9416	High Similarity	NPC472963
0.9416	High Similarity	NPC471209
0.9416	High Similarity	NPC299520
0.9416	High Similarity	NPC472598
0.9416	High Similarity	NPC78071
0.9412	High Similarity	NPC256612
0.9412	High Similarity	NPC113906
0.9412	High Similarity	NPC45849
0.9412	High Similarity	NPC200761
0.9412	High Similarity	NPC470327
0.9412	High Similarity	NPC20830
0.9412	High Similarity	NPC477503
0.9408	High Similarity	NPC472912
0.9404	High Similarity	NPC88804
0.9404	High Similarity	NPC3825
0.9404	High Similarity	NPC472279
0.94	High Similarity	NPC196277
0.94	High Similarity	NPC43669
0.94	High Similarity	NPC272721
0.9367	High Similarity	NPC37870
0.9367	High Similarity	NPC235610
0.9367	High Similarity	NPC472449
0.9367	High Similarity	NPC43319
0.9363	High Similarity	NPC236521
0.9363	High Similarity	NPC152659
0.9363	High Similarity	NPC248638
0.9359	High Similarity	NPC266314
0.9359	High Similarity	NPC471212
0.9359	High Similarity	NPC472634
0.9359	High Similarity	NPC61010
0.9359	High Similarity	NPC471211
0.9355	High Similarity	NPC53545
0.9355	High Similarity	NPC55738
0.9355	High Similarity	NPC117418
0.9355	High Similarity	NPC187792
0.9355	High Similarity	NPC250214
0.9355	High Similarity	NPC95936
0.9355	High Similarity	NPC473990
0.9355	High Similarity	NPC235448
0.9351	High Similarity	NPC209614
0.9351	High Similarity	NPC472916
0.9351	High Similarity	NPC276444
0.9351	High Similarity	NPC474638
0.9351	High Similarity	NPC472907
0.9351	High Similarity	NPC470328
0.9351	High Similarity	NPC472626
0.9351	High Similarity	NPC265511
0.9346	High Similarity	NPC206238
0.9346	High Similarity	NPC472905
0.9346	High Similarity	NPC292214
0.9346	High Similarity	NPC74924
0.9346	High Similarity	NPC47781
0.9346	High Similarity	NPC213896
0.9346	High Similarity	NPC22519
0.9346	High Similarity	NPC160951
0.9346	High Similarity	NPC69394
0.9346	High Similarity	NPC18727
0.9346	High Similarity	NPC255350
0.9346	High Similarity	NPC145379
0.9346	High Similarity	NPC271779
0.9346	High Similarity	NPC274327
0.9346	High Similarity	NPC176775
0.9346	High Similarity	NPC469550
0.9346	High Similarity	NPC88645
0.9346	High Similarity	NPC192083
0.9346	High Similarity	NPC183878
0.9346	High Similarity	NPC167091
0.9346	High Similarity	NPC231018
0.9338	High Similarity	NPC48479
0.9338	High Similarity	NPC137062
0.9338	High Similarity	NPC139293
0.9338	High Similarity	NPC183950
0.9338	High Similarity	NPC195763
0.9338	High Similarity	NPC69430
0.9338	High Similarity	NPC177298
0.9338	High Similarity	NPC264550
0.9338	High Similarity	NPC264289
0.9338	High Similarity	NPC52005
0.9338	High Similarity	NPC333691
0.9338	High Similarity	NPC171916
0.9338	High Similarity	NPC223579
0.9338	High Similarity	NPC38545
0.9338	High Similarity	NPC40290
0.9338	High Similarity	NPC287101
0.9338	High Similarity	NPC142876
0.9338	High Similarity	NPC200060

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC204879 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	340
0.1-0.2	900
0.2-0.3	1556
0.3-0.4	2593
0.4-0.5	1957
0.5-0.6	1088
0.6-0.7	502
0.7-0.8	168
0.8-0.85	30
0.85-0.9	22
0.9-0.95	5
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9346	High Similarity	NPD2393	Clinical (unspecified phase)
0.9346	High Similarity	NPD2801	Approved
0.9281	High Similarity	NPD1934	Approved
0.9103	High Similarity	NPD3882	Suspended
0.9007	High Similarity	NPD1511	Approved
0.8944	High Similarity	NPD6166	Phase 2
0.8944	High Similarity	NPD6168	Clinical (unspecified phase)
0.8944	High Similarity	NPD6167	Clinical (unspecified phase)
0.8903	High Similarity	NPD4380	Phase 2
0.8889	High Similarity	NPD1512	Approved
0.8834	High Similarity	NPD3818	Discontinued
0.8824	High Similarity	NPD4378	Clinical (unspecified phase)
0.8824	High Similarity	NPD7410	Clinical (unspecified phase)
0.8812	High Similarity	NPD5494	Approved
0.878	High Similarity	NPD7054	Approved
0.8742	High Similarity	NPD4868	Clinical (unspecified phase)
0.8727	High Similarity	NPD7074	Phase 3
0.8727	High Similarity	NPD7472	Approved
0.8688	High Similarity	NPD7075	Discontinued
0.8679	High Similarity	NPD3817	Phase 2
0.8616	High Similarity	NPD7096	Clinical (unspecified phase)
0.8571	High Similarity	NPD4338	Clinical (unspecified phase)
0.8571	High Similarity	NPD4381	Clinical (unspecified phase)
0.8563	High Similarity	NPD6797	Phase 2
0.8553	High Similarity	NPD1549	Phase 2
0.8512	High Similarity	NPD7251	Discontinued
0.85	High Similarity	NPD7819	Suspended
0.8491	Intermediate Similarity	NPD7411	Suspended
0.8487	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8487	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8477	Intermediate Similarity	NPD1510	Phase 2
0.8476	Intermediate Similarity	NPD6232	Discontinued
0.8462	Intermediate Similarity	NPD7808	Phase 3
0.8447	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8438	Intermediate Similarity	NPD6801	Discontinued
0.8434	Intermediate Similarity	NPD7473	Discontinued
0.8421	Intermediate Similarity	NPD2796	Approved
0.8385	Intermediate Similarity	NPD1465	Phase 2
0.8333	Intermediate Similarity	NPD943	Approved
0.8333	Intermediate Similarity	NPD1240	Approved
0.8333	Intermediate Similarity	NPD5844	Phase 1
0.8333	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.828	Intermediate Similarity	NPD6799	Approved
0.8235	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8224	Intermediate Similarity	NPD1607	Approved
0.8193	Intermediate Similarity	NPD6959	Discontinued
0.8193	Intermediate Similarity	NPD1247	Approved
0.8182	Intermediate Similarity	NPD919	Approved
0.8155	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD3749	Approved
0.811	Intermediate Similarity	NPD5402	Approved
0.8095	Intermediate Similarity	NPD3926	Phase 2
0.8089	Intermediate Similarity	NPD3750	Approved
0.8086	Intermediate Similarity	NPD6599	Discontinued
0.8081	Intermediate Similarity	NPD6559	Discontinued
0.8061	Intermediate Similarity	NPD7768	Phase 2
0.8012	Intermediate Similarity	NPD5403	Approved
0.7962	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7949	Intermediate Similarity	NPD2935	Discontinued
0.7947	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7911	Intermediate Similarity	NPD2800	Approved
0.7911	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7901	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7888	Intermediate Similarity	NPD5401	Approved
0.7881	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7869	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD1613	Approved
0.7857	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7806	Intermediate Similarity	NPD447	Suspended
0.7806	Intermediate Similarity	NPD230	Phase 1
0.7799	Intermediate Similarity	NPD1243	Approved
0.7791	Intermediate Similarity	NPD920	Approved
0.7778	Intermediate Similarity	NPD2533	Approved
0.7778	Intermediate Similarity	NPD2534	Approved
0.7778	Intermediate Similarity	NPD2532	Approved
0.7771	Intermediate Similarity	NPD3748	Approved
0.7771	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD2799	Discontinued
0.7765	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD2313	Discontinued
0.7722	Intermediate Similarity	NPD6100	Approved
0.7722	Intermediate Similarity	NPD6099	Approved
0.7722	Intermediate Similarity	NPD1551	Phase 2
0.7714	Intermediate Similarity	NPD5953	Discontinued
0.7697	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD3226	Approved
0.7692	Intermediate Similarity	NPD1933	Approved
0.768	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD2344	Approved
0.7673	Intermediate Similarity	NPD2346	Discontinued
0.7669	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7662	Intermediate Similarity	NPD3027	Phase 3
0.7658	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD9494	Approved
0.7644	Intermediate Similarity	NPD3751	Discontinued
0.7643	Intermediate Similarity	NPD6651	Approved
0.764	Intermediate Similarity	NPD4628	Phase 3
0.764	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7627	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7607	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD7286	Phase 2
0.7571	Intermediate Similarity	NPD7685	Pre-registration
0.7558	Intermediate Similarity	NPD7199	Phase 2
0.7544	Intermediate Similarity	NPD6234	Discontinued
0.753	Intermediate Similarity	NPD1653	Approved
0.7514	Intermediate Similarity	NPD3787	Discontinued
0.7514	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7390	Discontinued
0.7486	Intermediate Similarity	NPD8312	Approved
0.7486	Intermediate Similarity	NPD8313	Approved
0.7485	Intermediate Similarity	NPD6190	Approved
0.7485	Intermediate Similarity	NPD2309	Approved
0.7484	Intermediate Similarity	NPD4908	Phase 1
0.7471	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD7228	Approved
0.7436	Intermediate Similarity	NPD4625	Phase 3
0.7435	Intermediate Similarity	NPD7584	Approved
0.7405	Intermediate Similarity	NPD4360	Phase 2
0.7405	Intermediate Similarity	NPD4363	Phase 3
0.7403	Intermediate Similarity	NPD1203	Approved
0.7394	Intermediate Similarity	NPD6776	Approved
0.7394	Intermediate Similarity	NPD6778	Approved
0.7394	Intermediate Similarity	NPD6780	Approved
0.7394	Intermediate Similarity	NPD6782	Approved
0.7394	Intermediate Similarity	NPD6779	Approved
0.7394	Intermediate Similarity	NPD6777	Approved
0.7394	Intermediate Similarity	NPD6781	Approved
0.7368	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD8150	Discontinued
0.7358	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD5124	Phase 1
0.7355	Intermediate Similarity	NPD2798	Approved
0.7353	Intermediate Similarity	NPD37	Approved
0.7349	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD4308	Phase 3
0.7329	Intermediate Similarity	NPD7033	Discontinued
0.7326	Intermediate Similarity	NPD4966	Approved
0.7326	Intermediate Similarity	NPD4965	Approved
0.7326	Intermediate Similarity	NPD4967	Phase 2
0.7314	Intermediate Similarity	NPD5711	Approved
0.7314	Intermediate Similarity	NPD5710	Approved
0.7278	Intermediate Similarity	NPD3268	Approved
0.7278	Intermediate Similarity	NPD7458	Discontinued
0.7278	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD7435	Discontinued
0.7273	Intermediate Similarity	NPD5242	Approved
0.7268	Intermediate Similarity	NPD8434	Phase 2
0.7268	Intermediate Similarity	NPD8151	Discontinued
0.7261	Intermediate Similarity	NPD6832	Phase 2
0.7255	Intermediate Similarity	NPD1610	Phase 2
0.7251	Intermediate Similarity	NPD6844	Discontinued
0.7246	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1548	Phase 1
0.7208	Intermediate Similarity	NPD9269	Phase 2
0.7208	Intermediate Similarity	NPD9717	Approved
0.7195	Intermediate Similarity	NPD2424	Discontinued
0.7193	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD4287	Approved
0.7188	Intermediate Similarity	NPD7697	Approved
0.7188	Intermediate Similarity	NPD7698	Approved
0.7188	Intermediate Similarity	NPD7696	Phase 3
0.7186	Intermediate Similarity	NPD4357	Discontinued
0.7181	Intermediate Similarity	NPD4361	Phase 2
0.7181	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD2797	Approved
0.7179	Intermediate Similarity	NPD1470	Approved
0.7178	Intermediate Similarity	NPD5408	Approved
0.7178	Intermediate Similarity	NPD5406	Approved
0.7178	Intermediate Similarity	NPD5404	Approved
0.7178	Intermediate Similarity	NPD5405	Approved
0.7168	Intermediate Similarity	NPD5353	Approved
0.7168	Intermediate Similarity	NPD4288	Approved
0.7161	Intermediate Similarity	NPD4749	Approved
0.7152	Intermediate Similarity	NPD5536	Phase 2
0.715	Intermediate Similarity	NPD7871	Phase 2
0.715	Intermediate Similarity	NPD7870	Phase 2
0.7143	Intermediate Similarity	NPD7549	Discontinued
0.7143	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD422	Phase 1
0.7135	Intermediate Similarity	NPD6823	Phase 2
0.7135	Intermediate Similarity	NPD6585	Discontinued
0.7135	Intermediate Similarity	NPD2403	Approved
0.7128	Intermediate Similarity	NPD6535	Approved
0.7128	Intermediate Similarity	NPD7701	Phase 2
0.7128	Intermediate Similarity	NPD6534	Approved
0.7119	Intermediate Similarity	NPD7229	Phase 3
0.7115	Intermediate Similarity	NPD3225	Approved
0.7107	Intermediate Similarity	NPD7783	Phase 2
0.7107	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD5049	Phase 3
0.7097	Intermediate Similarity	NPD1608	Approved
0.7093	Intermediate Similarity	NPD5890	Approved
0.7093	Intermediate Similarity	NPD5889	Approved
0.7093	Intermediate Similarity	NPD6385	Approved
0.7093	Intermediate Similarity	NPD6386	Approved

Structure

CID204879 OpenBabel06191715592D 30 33 0 0 0 0 0 0 0 0999 V2000 -1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.3660 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 1.5000 0.0000 C 0 0 0 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 -5.1962 -2.0000 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 -0.0000 -2.0000 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 -2.5981 2.5000 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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -0.5000 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 -3.4641 -2.0000 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 -0.8660 -0.5000 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 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 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 -6.9282 0.0000 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 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.0000 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 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 12 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 24 1 0 0 0 0 13 18 1 0 0 0 0 13 22 2 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 23 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 26 2 0 0 0 0 19 27 1 0 0 0 0 20 30 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 23 28 1 0 0 0 0 24 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	12178329
ChEMBL	CHEMBL2147810
ZINC

Physicochemical Properties

Molecular Weight:	408.16
ALogP:	1.3949
MLogP:	3.44
XLogP:	3.04
# Rotatable Bonds:	10
Polar Surface Area:	85.22
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	30

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