NPASS Natural Product

Natural Product: NPC329747

Natural Product ID:	NPC329747
Common Name:	n.a.
IUPAC Name:
Synonyms:	11-Methoxyibogamine
Molecular Formula:	C20H26N2O
Standard InCHIKey:	UCIDWKVIQZIKEK-CATNNOJYSA-N
Standard InCHI:	InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17?,20-/m0/s1
Canonical SMILES:	CC[C@H]1C[C@@H]2CN3[C@@H]1C(C2)c1[nH]c2c(c1CC3)ccc(c2)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
NPO32495	tabernaemontana calcarea	Species	Apocynaceae	Eukaryota		Madagascar rainforest		PMID[12713407]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	4.9	ug/ml	1336040

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 NPC329747 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	454
0.1-0.2	2622
0.2-0.3	9728
0.3-0.4	5486
0.4-0.5	8634
0.5-0.6	2191
0.6-0.7	1282
0.7-0.8	409
0.8-0.85	59
0.85-0.9	21
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9514	High Similarity	NPC475910
0.9239	High Similarity	NPC329793
0.9171	High Similarity	NPC473041
0.8994	High Similarity	NPC84478
0.8906	High Similarity	NPC471304
0.8842	High Similarity	NPC285558
0.8769	High Similarity	NPC478074
0.8723	High Similarity	NPC72211
0.8717	High Similarity	NPC70259
0.8687	High Similarity	NPC96321
0.867	High Similarity	NPC70956
0.867	High Similarity	NPC243834
0.8663	High Similarity	NPC43787
0.8663	High Similarity	NPC205934
0.8586	High Similarity	NPC476044
0.8586	High Similarity	NPC330009
0.8586	High Similarity	NPC267423
0.8586	High Similarity	NPC232727
0.8579	High Similarity	NPC469592
0.8579	High Similarity	NPC471080
0.8564	High Similarity	NPC131017
0.852	High Similarity	NPC123976
0.852	High Similarity	NPC167860
0.8502	High Similarity	NPC473105
0.8497	Intermediate Similarity	NPC162484
0.845	Intermediate Similarity	NPC305984
0.8446	Intermediate Similarity	NPC475085
0.8446	Intermediate Similarity	NPC475112
0.8446	Intermediate Similarity	NPC291535
0.8424	Intermediate Similarity	NPC176127
0.8408	Intermediate Similarity	NPC469594
0.835	Intermediate Similarity	NPC470549
0.8316	Intermediate Similarity	NPC476106
0.8308	Intermediate Similarity	NPC170114
0.8308	Intermediate Similarity	NPC152768
0.8308	Intermediate Similarity	NPC148183
0.8274	Intermediate Similarity	NPC193777
0.8261	Intermediate Similarity	NPC72980
0.8252	Intermediate Similarity	NPC21638
0.8235	Intermediate Similarity	NPC94943
0.8233	Intermediate Similarity	NPC81939
0.8229	Intermediate Similarity	NPC13880
0.8221	Intermediate Similarity	NPC311906
0.8214	Intermediate Similarity	NPC223427
0.8211	Intermediate Similarity	NPC92111
0.82	Intermediate Similarity	NPC208284
0.8197	Intermediate Similarity	NPC329688
0.8197	Intermediate Similarity	NPC189812
0.8194	Intermediate Similarity	NPC475666
0.8191	Intermediate Similarity	NPC201697
0.819	Intermediate Similarity	NPC475720
0.819	Intermediate Similarity	NPC474192
0.8186	Intermediate Similarity	NPC213530
0.8186	Intermediate Similarity	NPC193267
0.8182	Intermediate Similarity	NPC190007
0.8173	Intermediate Similarity	NPC478078
0.8158	Intermediate Similarity	NPC76748
0.8154	Intermediate Similarity	NPC11017
0.815	Intermediate Similarity	NPC11464
0.8146	Intermediate Similarity	NPC477533
0.8137	Intermediate Similarity	NPC303658
0.8128	Intermediate Similarity	NPC469928
0.8128	Intermediate Similarity	NPC212535
0.8105	Intermediate Similarity	NPC296527
0.8105	Intermediate Similarity	NPC242928
0.81	Intermediate Similarity	NPC469589
0.809	Intermediate Similarity	NPC249583
0.809	Intermediate Similarity	NPC26850
0.809	Intermediate Similarity	NPC4687
0.8086	Intermediate Similarity	NPC473185
0.8081	Intermediate Similarity	NPC470930
0.8071	Intermediate Similarity	NPC135887
0.8071	Intermediate Similarity	NPC199277
0.8069	Intermediate Similarity	NPC48353
0.8069	Intermediate Similarity	NPC264176
0.8069	Intermediate Similarity	NPC94157
0.8068	Intermediate Similarity	NPC280272
0.8061	Intermediate Similarity	NPC176538
0.8048	Intermediate Similarity	NPC471762
0.8039	Intermediate Similarity	NPC183407
0.8031	Intermediate Similarity	NPC307963
0.8023	Intermediate Similarity	NPC26872
0.801	Intermediate Similarity	NPC473179
0.798	Intermediate Similarity	NPC295898
0.7972	Intermediate Similarity	NPC475253
0.797	Intermediate Similarity	NPC249040
0.797	Intermediate Similarity	NPC121772
0.7963	Intermediate Similarity	NPC475816
0.796	Intermediate Similarity	NPC470931
0.7933	Intermediate Similarity	NPC310118
0.7933	Intermediate Similarity	NPC477532
0.7931	Intermediate Similarity	NPC87413
0.7926	Intermediate Similarity	NPC477066
0.7921	Intermediate Similarity	NPC473181
0.7892	Intermediate Similarity	NPC308137
0.7892	Intermediate Similarity	NPC316981
0.7892	Intermediate Similarity	NPC310211
0.789	Intermediate Similarity	NPC473540
0.789	Intermediate Similarity	NPC478082
0.789	Intermediate Similarity	NPC477067
0.789	Intermediate Similarity	NPC478081
0.7884	Intermediate Similarity	NPC474798
0.7882	Intermediate Similarity	NPC199667
0.7879	Intermediate Similarity	NPC19872
0.7879	Intermediate Similarity	NPC315957
0.7877	Intermediate Similarity	NPC66777
0.7876	Intermediate Similarity	NPC329858
0.7865	Intermediate Similarity	NPC46580
0.7861	Intermediate Similarity	NPC472111
0.7857	Intermediate Similarity	NPC251090
0.7849	Intermediate Similarity	NPC474409
0.7847	Intermediate Similarity	NPC198503
0.7847	Intermediate Similarity	NPC60621
0.7842	Intermediate Similarity	NPC19679
0.7833	Intermediate Similarity	NPC209769
0.7833	Intermediate Similarity	NPC476116
0.7833	Intermediate Similarity	NPC174758
0.7828	Intermediate Similarity	NPC128823
0.7826	Intermediate Similarity	NPC169402
0.7817	Intermediate Similarity	NPC153042
0.7816	Intermediate Similarity	NPC116238
0.7812	Intermediate Similarity	NPC204385
0.7807	Intermediate Similarity	NPC312872
0.7799	Intermediate Similarity	NPC150239
0.7799	Intermediate Similarity	NPC132642
0.7793	Intermediate Similarity	NPC194740
0.7793	Intermediate Similarity	NPC314954
0.7788	Intermediate Similarity	NPC473183
0.7788	Intermediate Similarity	NPC184680
0.7778	Intermediate Similarity	NPC473184
0.7773	Intermediate Similarity	NPC122436
0.7767	Intermediate Similarity	NPC266931
0.7761	Intermediate Similarity	NPC245816
0.7761	Intermediate Similarity	NPC476138
0.776	Intermediate Similarity	NPC177404
0.7752	Intermediate Similarity	NPC470785
0.7752	Intermediate Similarity	NPC470784
0.7748	Intermediate Similarity	NPC17437
0.7746	Intermediate Similarity	NPC110151
0.7723	Intermediate Similarity	NPC475070
0.7714	Intermediate Similarity	NPC472099
0.771	Intermediate Similarity	NPC252251
0.7708	Intermediate Similarity	NPC62069
0.7703	Intermediate Similarity	NPC247803
0.7703	Intermediate Similarity	NPC46561
0.77	Intermediate Similarity	NPC227908
0.7696	Intermediate Similarity	NPC39679
0.7692	Intermediate Similarity	NPC314333
0.7688	Intermediate Similarity	NPC306376
0.7684	Intermediate Similarity	NPC88363
0.7671	Intermediate Similarity	NPC101350
0.7667	Intermediate Similarity	NPC208084
0.7665	Intermediate Similarity	NPC106937
0.7661	Intermediate Similarity	NPC295228
0.7639	Intermediate Similarity	NPC477531
0.7633	Intermediate Similarity	NPC472098
0.7633	Intermediate Similarity	NPC473180
0.7633	Intermediate Similarity	NPC26679
0.7632	Intermediate Similarity	NPC96890
0.763	Intermediate Similarity	NPC174760
0.763	Intermediate Similarity	NPC86078
0.7626	Intermediate Similarity	NPC235685
0.7614	Intermediate Similarity	NPC99666
0.761	Intermediate Similarity	NPC476465
0.7608	Intermediate Similarity	NPC274982
0.7604	Intermediate Similarity	NPC206201
0.7602	Intermediate Similarity	NPC95783
0.7598	Intermediate Similarity	NPC474145
0.7598	Intermediate Similarity	NPC300156
0.7598	Intermediate Similarity	NPC21605
0.7598	Intermediate Similarity	NPC45190
0.7598	Intermediate Similarity	NPC475841
0.7594	Intermediate Similarity	NPC317430
0.7593	Intermediate Similarity	NPC209174
0.7581	Intermediate Similarity	NPC157931
0.7577	Intermediate Similarity	NPC473189
0.7573	Intermediate Similarity	NPC174672
0.7573	Intermediate Similarity	NPC185782
0.7569	Intermediate Similarity	NPC180504
0.7569	Intermediate Similarity	NPC473182
0.7566	Intermediate Similarity	NPC471294
0.7566	Intermediate Similarity	NPC472123
0.7559	Intermediate Similarity	NPC162748
0.7558	Intermediate Similarity	NPC260434
0.7551	Intermediate Similarity	NPC246700
0.7549	Intermediate Similarity	NPC16452
0.7549	Intermediate Similarity	NPC36229
0.7549	Intermediate Similarity	NPC476581
0.7544	Intermediate Similarity	NPC478080
0.7539	Intermediate Similarity	NPC283152
0.7538	Intermediate Similarity	NPC171171
0.7525	Intermediate Similarity	NPC195268
0.7525	Intermediate Similarity	NPC324149
0.7525	Intermediate Similarity	NPC133140
0.7525	Intermediate Similarity	NPC234197
0.7523	Intermediate Similarity	NPC469554
0.7523	Intermediate Similarity	NPC101543
0.7514	Intermediate Similarity	NPC63157
0.7514	Intermediate Similarity	NPC473868
0.7512	Intermediate Similarity	NPC162530

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC329747 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	281
0.1-0.2	633
0.2-0.3	1026
0.3-0.4	925
0.4-0.5	2448
0.5-0.6	2534
0.6-0.7	1052
0.7-0.8	253
0.8-0.85	7
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9396	High Similarity	NPD4118	Clinical (unspecified phase)
0.8802	High Similarity	NPD5658	Approved
0.8316	Intermediate Similarity	NPD3003	Approved
0.8125	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.8103	Intermediate Similarity	NPD1768	Approved
0.8083	Intermediate Similarity	NPD6861	Clinical (unspecified phase)
0.8083	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.8031	Intermediate Similarity	NPD1038	Approved
0.801	Intermediate Similarity	NPD7194	Discontinued
0.799	Intermediate Similarity	NPD5902	Approved
0.799	Intermediate Similarity	NPD5903	Approved
0.799	Intermediate Similarity	NPD4795	Phase 2
0.795	Intermediate Similarity	NPD8403	Phase 1
0.791	Intermediate Similarity	NPD7453	Approved
0.791	Intermediate Similarity	NPD7452	Approved
0.7879	Intermediate Similarity	NPD1740	Approved
0.7879	Intermediate Similarity	NPD1739	Approved
0.7874	Intermediate Similarity	NPD6985	Discontinued
0.7835	Intermediate Similarity	NPD5913	Phase 3
0.7835	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7826	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7822	Intermediate Similarity	NPD7222	Phase 2
0.7822	Intermediate Similarity	NPD1392	Approved
0.7806	Intermediate Similarity	NPD4418	Discontinued
0.7748	Intermediate Similarity	NPD8358	Approved
0.7742	Intermediate Similarity	NPD1326	Approved
0.7742	Intermediate Similarity	NPD1325	Approved
0.7739	Intermediate Similarity	NPD3825	Phase 3
0.7731	Intermediate Similarity	NPD7558	Phase 2
0.7725	Intermediate Similarity	NPD6824	Clinical (unspecified phase)
0.772	Intermediate Similarity	NPD5256	Discontinued
0.7711	Intermediate Similarity	NPD5669	Clinical (unspecified phase)
0.7701	Intermediate Similarity	NPD1078	Clinical (unspecified phase)
0.7696	Intermediate Similarity	NPD4204	Approved
0.7696	Intermediate Similarity	NPD4203	Approved
0.7692	Intermediate Similarity	NPD4499	Approved
0.7692	Intermediate Similarity	NPD5612	Discontinued
0.7685	Intermediate Similarity	NPD4885	Approved
0.7684	Intermediate Similarity	NPD3920	Phase 2
0.7665	Intermediate Similarity	NPD802	Phase 2
0.7662	Intermediate Similarity	NPD4511	Phase 1
0.7638	Intermediate Similarity	NPD7948	Phase 1
0.763	Intermediate Similarity	NPD5070	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD5930	Phase 3
0.7619	Intermediate Similarity	NPD5632	Approved
0.761	Intermediate Similarity	NPD2187	Approved
0.761	Intermediate Similarity	NPD2189	Approved
0.7598	Intermediate Similarity	NPD5530	Phase 1
0.7585	Intermediate Similarity	NPD4502	Phase 2
0.7576	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7562	Intermediate Similarity	NPD4548	Discontinued
0.7547	Intermediate Similarity	NPD6242	Discontinued
0.7538	Intermediate Similarity	NPD6590	Discontinued
0.7538	Intermediate Similarity	NPD6491	Clinical (unspecified phase)
0.7526	Intermediate Similarity	NPD5065	Approved
0.7525	Intermediate Similarity	NPD3923	Approved
0.7525	Intermediate Similarity	NPD3921	Approved
0.7525	Intermediate Similarity	NPD3922	Approved
0.7525	Intermediate Similarity	NPD3924	Approved
0.7524	Intermediate Similarity	NPD2916	Discontinued
0.7513	Intermediate Similarity	NPD5680	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5066	Phase 2
0.75	Intermediate Similarity	NPD3402	Phase 1
0.75	Intermediate Similarity	NPD6220	Phase 3
0.75	Intermediate Similarity	NPD5067	Phase 2
0.7488	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7487	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD6140	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD3814	Phase 1
0.7465	Intermediate Similarity	NPD5559	Phase 2
0.7464	Intermediate Similarity	NPD3815	Phase 1
0.7464	Intermediate Similarity	NPD3816	Phase 1
0.7463	Intermediate Similarity	NPD6769	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD3810	Clinical (unspecified phase)
0.7446	Intermediate Similarity	NPD7956	Approved
0.7446	Intermediate Similarity	NPD7955	Approved
0.7437	Intermediate Similarity	NPD6569	Phase 2
0.7415	Intermediate Similarity	NPD6991	Approved
0.7407	Intermediate Similarity	NPD6872	Clinical (unspecified phase)
0.7398	Intermediate Similarity	NPD4889	Approved
0.7385	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7379	Intermediate Similarity	NPD3397	Phase 2
0.7368	Intermediate Similarity	NPD6244	Phase 3
0.7368	Intermediate Similarity	NPD4724	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD6243	Phase 3
0.7366	Intermediate Similarity	NPD6790	Phase 1
0.7363	Intermediate Similarity	NPD6251	Discontinued
0.7356	Intermediate Similarity	NPD7672	Approved
0.7356	Intermediate Similarity	NPD7671	Approved
0.7347	Intermediate Similarity	NPD5083	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD1322	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD6150	Discontinued
0.7342	Intermediate Similarity	NPD8363	Approved
0.7342	Intermediate Similarity	NPD8364	Approved
0.7336	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD6567	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD6494	Phase 2
0.7327	Intermediate Similarity	NPD5512	Phase 3
0.7327	Intermediate Similarity	NPD6550	Discontinued
0.7323	Intermediate Similarity	NPD2383	Phase 1
0.7321	Intermediate Similarity	NPD8017	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD2921	Clinical (unspecified phase)
0.7321	Intermediate Similarity	NPD8016	Phase 3
0.7315	Intermediate Similarity	NPD6160	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD4551	Phase 2
0.7311	Intermediate Similarity	NPD5293	Phase 2
0.7295	Intermediate Similarity	NPD4033	Approved
0.7295	Intermediate Similarity	NPD4036	Approved
0.7295	Intermediate Similarity	NPD31	Approved
0.7295	Intermediate Similarity	NPD4122	Approved
0.7295	Intermediate Similarity	NPD4037	Approved
0.7295	Intermediate Similarity	NPD4034	Approved
0.7295	Intermediate Similarity	NPD4039	Approved
0.7295	Intermediate Similarity	NPD4038	Approved
0.7295	Intermediate Similarity	NPD4035	Approved
0.7295	Intermediate Similarity	NPD32	Approved
0.7288	Intermediate Similarity	NPD7803	Approved
0.7283	Intermediate Similarity	NPD814	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD8365	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD4501	Approved
0.7268	Intermediate Similarity	NPD4500	Approved
0.7268	Intermediate Similarity	NPD3504	Approved
0.7268	Intermediate Similarity	NPD3503	Approved
0.726	Intermediate Similarity	NPD3932	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD6281	Approved
0.725	Intermediate Similarity	NPD2410	Phase 2
0.7245	Intermediate Similarity	NPD3037	Phase 1
0.7243	Intermediate Similarity	NPD3440	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD3478	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD3477	Phase 2
0.7235	Intermediate Similarity	NPD7221	Approved
0.7235	Intermediate Similarity	NPD1954	Phase 1
0.7235	Intermediate Similarity	NPD7219	Approved
0.7231	Intermediate Similarity	NPD7479	Phase 2
0.723	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7227	Intermediate Similarity	NPD7710	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD2175	Phase 3
0.722	Intermediate Similarity	NPD6963	Approved
0.722	Intermediate Similarity	NPD2177	Approved
0.722	Intermediate Similarity	NPD2176	Approved
0.722	Intermediate Similarity	NPD6964	Approved
0.7217	Intermediate Similarity	NPD3330	Phase 1
0.7217	Intermediate Similarity	NPD5482	Discontinued
0.7215	Intermediate Similarity	NPD7674	Phase 3
0.7215	Intermediate Similarity	NPD7675	Phase 3
0.7215	Intermediate Similarity	NPD7676	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD3946	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD5003	Discontinued
0.72	Intermediate Similarity	NPD7729	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD6208	Discontinued
0.7196	Intermediate Similarity	NPD1685	Approved
0.7196	Intermediate Similarity	NPD1684	Approved
0.7195	Intermediate Similarity	NPD6968	Phase 2
0.7195	Intermediate Similarity	NPD6969	Phase 2
0.7193	Intermediate Similarity	NPD6230	Discontinued
0.7189	Intermediate Similarity	NPD2882	Phase 1
0.7186	Intermediate Similarity	NPD2917	Approved
0.7182	Intermediate Similarity	NPD3259	Approved
0.7179	Intermediate Similarity	NPD5670	Approved
0.7177	Intermediate Similarity	NPD5601	Phase 2
0.7176	Intermediate Similarity	NPD3763	Approved
0.7171	Intermediate Similarity	NPD3084	Phase 3
0.717	Intermediate Similarity	NPD5936	Approved
0.717	Intermediate Similarity	NPD5939	Approved
0.717	Intermediate Similarity	NPD3570	Phase 2
0.7169	Intermediate Similarity	NPD7719	Discontinued
0.7169	Intermediate Similarity	NPD6246	Approved
0.7165	Intermediate Similarity	NPD5602	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD8466	Approved
0.716	Intermediate Similarity	NPD8467	Approved
0.716	Intermediate Similarity	NPD8465	Approved
0.7157	Intermediate Similarity	NPD3386	Phase 2
0.715	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7149	Intermediate Similarity	NPD7067	Approved
0.7149	Intermediate Similarity	NPD7068	Approved
0.7143	Intermediate Similarity	NPD3930	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7678	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD6202	Discontinued
0.7128	Intermediate Similarity	NPD4354	Approved
0.7123	Intermediate Similarity	NPD6306	Phase 2
0.7122	Intermediate Similarity	NPD4673	Phase 2
0.7121	Intermediate Similarity	NPD5596	Phase 2
0.7119	Intermediate Similarity	NPD7708	Approved
0.7118	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD4349	Approved
0.7118	Intermediate Similarity	NPD4350	Approved
0.7117	Intermediate Similarity	NPD5479	Discontinued
0.7117	Intermediate Similarity	NPD4952	Phase 3
0.7116	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD4021	Phase 2
0.7109	Intermediate Similarity	NPD5528	Clinical (unspecified phase)
0.7109	Intermediate Similarity	NPD5529	Phase 1
0.7103	Intermediate Similarity	NPD4457	Phase 2
0.7101	Intermediate Similarity	NPD4601	Approved
0.7101	Intermediate Similarity	NPD4600	Approved

Structure

NPC329747 OpenBabel07101718282D 23 27 0 0 1 0 0 0 0 0999 V2000 1.1690 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3951 3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 2.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5884 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3091 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7309 2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 0.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 1.1232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1901 1.3581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5630 2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 1.6689 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8989 2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 0.9453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9851 2.4031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3951 2.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 23 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 22 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 8 1 1 0 0 0 13 3 1 6 0 0 0 13 20 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	44566754
ChEMBL	CHEMBL468036
ZINC

Physicochemical Properties

Molecular Weight:	310.20
ALogP:	-1.2608
MLogP:	3.33
XLogP:	3.58
# Rotatable Bonds:	4
Polar Surface Area:	28.26
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	23

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