NPASS Natural Product

Natural Product: NPC31707

Natural Product ID:	NPC31707
Common Name:	(2S)-7,8,3',4',5'-Pentamethoxyflavan
IUPAC Name:	(2S)-7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene
Synonyms:	(2S)-7,8,3',4',5'-Pentamethoxyflavan
Molecular Formula:	C20H24O6
Standard InCHIKey:	PAGHIDUEYGMXRM-AWEZNQCLSA-N
Standard InCHI:	InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3/t14-/m0/s1
Canonical SMILES:	COc1cc(cc(c1OC)OC)[C@@H]1CCc2c(O1)c(OC)c(cc2)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
NPO8046	Muntingia calabura	Species	Muntingiaceae	Eukaryota	Roots			PMID[2045815]
NPO8046	Muntingia calabura	Species	Muntingiaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
ED50	8

Activity Type	# Activity
Cell Line	7
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	ED50	=	2.1	ug/ml	2045815
NPT168	Cell Line	P388	Mus musculus	ED50	=	5.4	ug/ml	2045815
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	=	8.9	ug/ml	2045815
NPT91	Cell Line	KB	Homo sapiens	ED50	=	13.3	ug/ml	2045815
NPT1851	Cell Line	Col2	Homo sapiens	ED50	=	15.8	ug/ml	2045815
NPT2	Others	Unspecified		ED50	>	20	ug/ml	2045815
NPT453	Cell Line	HT-1080	Homo sapiens	ED50	>	20	ug/ml	2045815
NPT1034	Cell Line	Lu1	Homo sapiens	ED50	>	20	ug/ml	2045815

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 NPC31707 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	358
0.1-0.2	1181
0.2-0.3	2851
0.3-0.4	8019
0.4-0.5	5136
0.5-0.6	2573
0.6-0.7	4536
0.7-0.8	4701
0.8-0.85	976
0.85-0.9	438
0.9-0.95	117
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9603	High Similarity	NPC263064
0.9528	High Similarity	NPC474478
0.9504	High Similarity	NPC261661
0.9453	High Similarity	NPC121812
0.9453	High Similarity	NPC112939
0.9453	High Similarity	NPC112246
0.9453	High Similarity	NPC224941
0.9453	High Similarity	NPC311430
0.9453	High Similarity	NPC94750
0.9453	High Similarity	NPC61946
0.9453	High Similarity	NPC470356
0.9453	High Similarity	NPC474206
0.938	High Similarity	NPC474639
0.938	High Similarity	NPC306441
0.938	High Similarity	NPC16435
0.938	High Similarity	NPC78047
0.938	High Similarity	NPC230734
0.938	High Similarity	NPC227503
0.9365	High Similarity	NPC476399
0.9339	High Similarity	NPC472596
0.9308	High Similarity	NPC176051
0.9308	High Similarity	NPC103976
0.9308	High Similarity	NPC326797
0.9308	High Similarity	NPC107551
0.9308	High Similarity	NPC211549
0.9308	High Similarity	NPC474282
0.9308	High Similarity	NPC102904
0.9302	High Similarity	NPC47398
0.9302	High Similarity	NPC151224
0.9302	High Similarity	NPC260898
0.9302	High Similarity	NPC195022
0.9302	High Similarity	NPC234333
0.9297	High Similarity	NPC11060
0.9286	High Similarity	NPC474227
0.928	High Similarity	NPC242032
0.9237	High Similarity	NPC471388
0.9231	High Similarity	NPC162659
0.9231	High Similarity	NPC265433
0.9231	High Similarity	NPC248727
0.9231	High Similarity	NPC270456
0.9231	High Similarity	NPC269091
0.9231	High Similarity	NPC302701
0.9231	High Similarity	NPC173660
0.9225	High Similarity	NPC317380
0.9219	High Similarity	NPC127624
0.9219	High Similarity	NPC86655
0.9219	High Similarity	NPC202762
0.9206	High Similarity	NPC210674
0.92	High Similarity	NPC50683
0.92	High Similarity	NPC244364
0.92	High Similarity	NPC285725
0.92	High Similarity	NPC112571
0.9174	High Similarity	NPC172253
0.9174	High Similarity	NPC59561
0.9174	High Similarity	NPC475961
0.9174	High Similarity	NPC254625
0.9167	High Similarity	NPC184797
0.9167	High Similarity	NPC27495
0.9167	High Similarity	NPC309124
0.916	High Similarity	NPC276490
0.9154	High Similarity	NPC164787
0.9154	High Similarity	NPC473413
0.9147	High Similarity	NPC168059
0.9147	High Similarity	NPC229442
0.9147	High Similarity	NPC475840
0.9141	High Similarity	NPC474238
0.9134	High Similarity	NPC202582
0.9134	High Similarity	NPC470258
0.9134	High Similarity	NPC210623
0.9134	High Similarity	NPC469951
0.9134	High Similarity	NPC469963
0.9134	High Similarity	NPC3439
0.9134	High Similarity	NPC218856
0.9134	High Similarity	NPC226788
0.9134	High Similarity	NPC222004
0.9134	High Similarity	NPC285339
0.9134	High Similarity	NPC190629
0.9134	High Similarity	NPC273295
0.9127	High Similarity	NPC474119
0.9098	High Similarity	NPC471389
0.9091	High Similarity	NPC245207
0.9091	High Similarity	NPC232164
0.9091	High Similarity	NPC236306
0.9091	High Similarity	NPC260741
0.9091	High Similarity	NPC319647
0.9091	High Similarity	NPC25966
0.9091	High Similarity	NPC70682
0.9091	High Similarity	NPC127218
0.9091	High Similarity	NPC473739
0.9084	High Similarity	NPC234952
0.9084	High Similarity	NPC472336
0.9084	High Similarity	NPC472334
0.9084	High Similarity	NPC470802
0.9077	High Similarity	NPC170694
0.907	High Similarity	NPC219876
0.907	High Similarity	NPC261619
0.907	High Similarity	NPC78770
0.907	High Similarity	NPC126029
0.907	High Similarity	NPC61477
0.907	High Similarity	NPC185604
0.907	High Similarity	NPC253105
0.907	High Similarity	NPC15658
0.907	High Similarity	NPC201587
0.9062	High Similarity	NPC79184
0.9062	High Similarity	NPC470624
0.9062	High Similarity	NPC237169
0.9062	High Similarity	NPC307042
0.9055	High Similarity	NPC222127
0.9055	High Similarity	NPC82862
0.9048	High Similarity	NPC88297
0.9048	High Similarity	NPC186845
0.9048	High Similarity	NPC9891
0.904	High Similarity	NPC256015
0.904	High Similarity	NPC294156
0.903	High Similarity	NPC107161
0.903	High Similarity	NPC174522
0.903	High Similarity	NPC80326
0.9023	High Similarity	NPC22317
0.9015	High Similarity	NPC477938
0.9008	High Similarity	NPC472337
0.8992	High Similarity	NPC268266
0.8992	High Similarity	NPC472597
0.8992	High Similarity	NPC473412
0.8992	High Similarity	NPC220825
0.8992	High Similarity	NPC469613
0.8992	High Similarity	NPC184928
0.8992	High Similarity	NPC141493
0.8992	High Similarity	NPC268342
0.8992	High Similarity	NPC42760
0.8992	High Similarity	NPC30043
0.8992	High Similarity	NPC469698
0.8992	High Similarity	NPC469625
0.8976	High Similarity	NPC8050
0.8976	High Similarity	NPC473092
0.8976	High Similarity	NPC98745
0.8976	High Similarity	NPC473093
0.8968	High Similarity	NPC105925
0.8963	High Similarity	NPC81638
0.8955	High Similarity	NPC300798
0.8955	High Similarity	NPC35216
0.8955	High Similarity	NPC58137
0.8955	High Similarity	NPC247291
0.8952	High Similarity	NPC477886
0.8947	High Similarity	NPC32630
0.8947	High Similarity	NPC292487
0.8939	High Similarity	NPC286843
0.8931	High Similarity	NPC478085
0.8931	High Similarity	NPC106215
0.8931	High Similarity	NPC474600
0.8926	High Similarity	NPC123948
0.8923	High Similarity	NPC184447
0.8923	High Similarity	NPC470752
0.8923	High Similarity	NPC35932
0.8923	High Similarity	NPC160991
0.8923	High Similarity	NPC16208
0.8923	High Similarity	NPC475856
0.8923	High Similarity	NPC7903
0.8915	High Similarity	NPC469614
0.8915	High Similarity	NPC469612
0.8915	High Similarity	NPC91291
0.8915	High Similarity	NPC472338
0.8906	High Similarity	NPC46274
0.8906	High Similarity	NPC474623
0.8906	High Similarity	NPC226331
0.8906	High Similarity	NPC222572
0.8906	High Similarity	NPC281864
0.8906	High Similarity	NPC87224
0.8906	High Similarity	NPC54321
0.8906	High Similarity	NPC474651
0.8906	High Similarity	NPC328682
0.8897	High Similarity	NPC93323
0.8897	High Similarity	NPC280092
0.8897	High Similarity	NPC473108
0.8897	High Similarity	NPC45257
0.8897	High Similarity	NPC50250
0.8897	High Similarity	NPC12641
0.8889	High Similarity	NPC59841
0.8889	High Similarity	NPC475891
0.8889	High Similarity	NPC2613
0.8889	High Similarity	NPC204347
0.8881	High Similarity	NPC160283
0.8881	High Similarity	NPC259519
0.8881	High Similarity	NPC254759
0.888	High Similarity	NPC194626
0.8864	High Similarity	NPC134968
0.8864	High Similarity	NPC234865
0.8862	High Similarity	NPC308217
0.8862	High Similarity	NPC15805
0.8846	High Similarity	NPC162801
0.8846	High Similarity	NPC309787
0.8846	High Similarity	NPC103799
0.8837	High Similarity	NPC86030
0.8837	High Similarity	NPC476968
0.8837	High Similarity	NPC170844
0.8837	High Similarity	NPC5851
0.8837	High Similarity	NPC212015
0.8832	High Similarity	NPC475096
0.8832	High Similarity	NPC469557
0.8828	High Similarity	NPC74817
0.8828	High Similarity	NPC124452

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC31707 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	923
0.2-0.3	1501
0.3-0.4	2695
0.4-0.5	1785
0.5-0.6	999
0.6-0.7	649
0.7-0.8	249
0.8-0.85	14
0.85-0.9	4
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.907	High Similarity	NPD1612	Clinical (unspecified phase)
0.907	High Similarity	NPD1613	Approved
0.8906	High Similarity	NPD1529	Clinical (unspecified phase)
0.8837	High Similarity	NPD3027	Phase 3
0.8828	High Similarity	NPD1530	Clinical (unspecified phase)
0.8538	High Similarity	NPD3018	Phase 2
0.8473	Intermediate Similarity	NPD4908	Phase 1
0.8438	Intermediate Similarity	NPD2981	Phase 2
0.8374	Intermediate Similarity	NPD5283	Phase 1
0.8372	Intermediate Similarity	NPD2982	Phase 2
0.8372	Intermediate Similarity	NPD2983	Phase 2
0.8359	Intermediate Similarity	NPD1610	Phase 2
0.8346	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD1934	Approved
0.8189	Intermediate Similarity	NPD1548	Phase 1
0.812	Intermediate Similarity	NPD2861	Phase 2
0.8041	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD5494	Approved
0.8	Intermediate Similarity	NPD4625	Phase 3
0.7955	Intermediate Similarity	NPD4749	Approved
0.7939	Intermediate Similarity	NPD3705	Approved
0.7929	Intermediate Similarity	NPD3539	Phase 1
0.7891	Intermediate Similarity	NPD6055	Clinical (unspecified phase)
0.7887	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD3540	Phase 1
0.7867	Intermediate Similarity	NPD3817	Phase 2
0.7857	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7823	Intermediate Similarity	NPD1653	Approved
0.7815	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.781	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.781	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7806	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7806	Intermediate Similarity	NPD6166	Phase 2
0.7806	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD2796	Approved
0.78	Intermediate Similarity	NPD2801	Approved
0.7762	Intermediate Similarity	NPD6674	Discontinued
0.7692	Intermediate Similarity	NPD5536	Phase 2
0.768	Intermediate Similarity	NPD2684	Approved
0.7669	Intermediate Similarity	NPD1091	Approved
0.7664	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD4538	Approved
0.766	Intermediate Similarity	NPD4536	Approved
0.7658	Intermediate Similarity	NPD5844	Phase 1
0.7639	Intermediate Similarity	NPD1652	Phase 2
0.7632	Intermediate Similarity	NPD6374	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD8651	Approved
0.7616	Intermediate Similarity	NPD37	Approved
0.7613	Intermediate Similarity	NPD7199	Phase 2
0.761	Intermediate Similarity	NPD7074	Phase 3
0.7603	Intermediate Similarity	NPD7124	Phase 2
0.76	Intermediate Similarity	NPD4678	Approved
0.76	Intermediate Similarity	NPD4675	Approved
0.7586	Intermediate Similarity	NPD7466	Approved
0.7582	Intermediate Similarity	NPD4966	Approved
0.7582	Intermediate Similarity	NPD4967	Phase 2
0.7582	Intermediate Similarity	NPD3882	Suspended
0.7582	Intermediate Similarity	NPD4965	Approved
0.7578	Intermediate Similarity	NPD7843	Approved
0.7578	Intermediate Similarity	NPD5535	Approved
0.7551	Intermediate Similarity	NPD7213	Phase 3
0.7551	Intermediate Similarity	NPD1511	Approved
0.7551	Intermediate Similarity	NPD7212	Phase 2
0.7547	Intermediate Similarity	NPD7054	Approved
0.7538	Intermediate Similarity	NPD7157	Approved
0.7538	Intermediate Similarity	NPD6671	Approved
0.7532	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD5124	Phase 1
0.7518	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD5177	Phase 3
0.7517	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD228	Approved
0.75	Intermediate Similarity	NPD7447	Phase 1
0.75	Intermediate Similarity	NPD7472	Approved
0.7484	Intermediate Similarity	NPD3818	Discontinued
0.7484	Intermediate Similarity	NPD6234	Discontinued
0.7483	Intermediate Similarity	NPD5960	Phase 3
0.7483	Intermediate Similarity	NPD5588	Approved
0.7466	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD290	Approved
0.7451	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD1512	Approved
0.7448	Intermediate Similarity	NPD1549	Phase 2
0.7447	Intermediate Similarity	NPD4060	Phase 1
0.7438	Intermediate Similarity	NPD8156	Discontinued
0.7429	Intermediate Similarity	NPD6798	Discontinued
0.7426	Intermediate Similarity	NPD5327	Phase 3
0.7417	Intermediate Similarity	NPD4005	Discontinued
0.7413	Intermediate Similarity	NPD6111	Discontinued
0.741	Intermediate Similarity	NPD3537	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD422	Phase 1
0.7391	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD5846	Approved
0.7388	Intermediate Similarity	NPD6516	Phase 2
0.7383	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD1375	Discontinued
0.7375	Intermediate Similarity	NPD8252	Approved
0.7375	Intermediate Similarity	NPD8099	Discontinued
0.7375	Intermediate Similarity	NPD8251	Approved
0.7372	Intermediate Similarity	NPD2922	Phase 1
0.7368	Intermediate Similarity	NPD4380	Phase 2
0.7365	Intermediate Similarity	NPD5058	Phase 3
0.7362	Intermediate Similarity	NPD7808	Phase 3
0.7362	Intermediate Similarity	NPD7549	Discontinued
0.7361	Intermediate Similarity	NPD3748	Approved
0.7355	Intermediate Similarity	NPD6788	Approved
0.7347	Intermediate Similarity	NPD6331	Phase 2
0.7347	Intermediate Similarity	NPD3892	Phase 2
0.7346	Intermediate Similarity	NPD6797	Phase 2
0.7344	Intermediate Similarity	NPD5451	Approved
0.7338	Intermediate Similarity	NPD7819	Suspended
0.7333	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD1558	Phase 1
0.732	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD1774	Approved
0.7315	Intermediate Similarity	NPD6799	Approved
0.731	Intermediate Similarity	NPD6099	Approved
0.731	Intermediate Similarity	NPD6100	Approved
0.7308	Intermediate Similarity	NPD7075	Discontinued
0.7308	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD5110	Phase 2
0.7305	Intermediate Similarity	NPD5111	Phase 2
0.7305	Intermediate Similarity	NPD5718	Phase 2
0.7305	Intermediate Similarity	NPD5109	Approved
0.7303	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7301	Intermediate Similarity	NPD7251	Discontinued
0.7299	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD2677	Approved
0.7296	Intermediate Similarity	NPD3926	Phase 2
0.7293	Intermediate Similarity	NPD1408	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD2200	Suspended
0.7279	Intermediate Similarity	NPD4237	Approved
0.7279	Intermediate Similarity	NPD4162	Approved
0.7279	Intermediate Similarity	NPD4236	Phase 3
0.7278	Intermediate Similarity	NPD1247	Approved
0.7273	Intermediate Similarity	NPD1933	Approved
0.7273	Intermediate Similarity	NPD2557	Approved
0.7273	Intermediate Similarity	NPD3657	Discovery
0.7273	Intermediate Similarity	NPD6355	Discontinued
0.7267	Intermediate Similarity	NPD7228	Approved
0.7267	Intermediate Similarity	NPD4123	Phase 3
0.7266	Intermediate Similarity	NPD6584	Phase 3
0.7261	Intermediate Similarity	NPD919	Approved
0.726	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD7266	Discontinued
0.7256	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD6233	Phase 2
0.7254	Intermediate Similarity	NPD3530	Approved
0.7254	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD3532	Approved
0.7254	Intermediate Similarity	NPD3531	Approved
0.7239	Intermediate Similarity	NPD6580	Approved
0.7239	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD6581	Approved
0.7234	Intermediate Similarity	NPD7095	Approved
0.7233	Intermediate Similarity	NPD6232	Discontinued
0.723	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD4110	Phase 3
0.7226	Intermediate Similarity	NPD1465	Phase 2
0.7219	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD3596	Phase 2
0.7215	Intermediate Similarity	NPD5677	Discontinued
0.7211	Intermediate Similarity	NPD2424	Discontinued
0.7206	Intermediate Similarity	NPD3496	Discontinued
0.7203	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3620	Phase 2
0.72	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD4357	Discontinued
0.7197	Intermediate Similarity	NPD4055	Discovery
0.7192	Intermediate Similarity	NPD6032	Approved
0.719	Intermediate Similarity	NPD7261	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD5691	Approved
0.7185	Intermediate Similarity	NPD3444	Approved
0.7185	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD1357	Approved
0.7185	Intermediate Similarity	NPD3443	Approved
0.7185	Intermediate Similarity	NPD3445	Approved
0.7185	Intermediate Similarity	NPD5585	Approved
0.7179	Intermediate Similarity	NPD5402	Approved
0.7179	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD7097	Phase 1
0.7171	Intermediate Similarity	NPD5976	Discontinued
0.7163	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD3060	Approved
0.7161	Intermediate Similarity	NPD3382	Approved
0.7161	Intermediate Similarity	NPD3384	Approved
0.7161	Intermediate Similarity	NPD3383	Approved
0.7161	Intermediate Similarity	NPD6801	Discontinued
0.7153	Intermediate Similarity	NPD5735	Approved
0.7153	Intermediate Similarity	NPD1611	Approved
0.7152	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD1424	Approved

Structure

CID31707 OpenBabel06191715362D 26 28 0 0 1 0 0 0 0 0999 V2000 3.4641 -1.0000 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 -3.4641 -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 0.8660 -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 1.7321 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 1.5000 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 -1.7321 -1.0000 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 -1.7321 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 1 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 -3.4641 0.0000 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 0.8660 0.5000 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 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 -4.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 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 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 14 13 1 6 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	23730738
ChEMBL	CHEMBL459239
ZINC

Physicochemical Properties

Molecular Weight:	360.16
ALogP:	-0.6891
MLogP:	3
XLogP:	2.639
# Rotatable Bonds:	11
Polar Surface Area:	55.38
# H-Bond Aceptor:	0
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	26

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