NPASS Natural Product

Natural Product: NPC470160

Natural Product ID:	NPC470160
Common Name:	Methyl 2-[(E,10S)-10-Hydroxypentadec-8-Enyl]-6-Methoxybenzoate
IUPAC Name:	methyl 2-[(E,10S)-10-hydroxypentadec-8-enyl]-6-methoxybenzoate
Synonyms:
Molecular Formula:	C24H38O4
Standard InCHIKey:	QNZNAWPANNKJMY-DOIQENQNSA-N
Standard InCHI:	InChI=1S/C24H38O4/c1-4-5-11-17-21(25)18-13-10-8-6-7-9-12-15-20-16-14-19-22(27-2)23(20)24(26)28-3/h13-14,16,18-19,21,25H,4-12,15,17H2,1-3H3/b18-13+/t21-/m0/s1
Canonical SMILES:	CCCCC[C@@H](/C=C/CCCCCCCc1cccc(c1C(=O)OC)OC)O
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
NPO28164	Knema laurina	Species	Myristicaceae	Eukaryota	Stem barks			PMID[21641207]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	IC50	=	342060	nM	18678487

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 NPC470160 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	194
0.1-0.2	879
0.2-0.3	1883
0.3-0.4	4247
0.4-0.5	8526
0.5-0.6	3393
0.6-0.7	5484
0.7-0.8	5854
0.8-0.85	349
0.85-0.9	75
0.9-0.95	5
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.936	High Similarity	NPC470163
0.936	High Similarity	NPC470162
0.9286	High Similarity	NPC240744
0.9286	High Similarity	NPC167055
0.9008	High Similarity	NPC7012
0.8978	High Similarity	NPC474385
0.8947	High Similarity	NPC474097
0.8913	High Similarity	NPC51106
0.8905	High Similarity	NPC475730
0.8905	High Similarity	NPC1704
0.8905	High Similarity	NPC67650
0.8889	High Similarity	NPC272454
0.8889	High Similarity	NPC301987
0.8889	High Similarity	NPC159760
0.8889	High Similarity	NPC115188
0.8889	High Similarity	NPC26433
0.8889	High Similarity	NPC179092
0.8889	High Similarity	NPC292665
0.8889	High Similarity	NPC244994
0.8889	High Similarity	NPC35856
0.8889	High Similarity	NPC222876
0.8889	High Similarity	NPC178395
0.8881	High Similarity	NPC142027
0.8872	High Similarity	NPC43627
0.8849	High Similarity	NPC210425
0.8849	High Similarity	NPC86373
0.8849	High Similarity	NPC280404
0.8849	High Similarity	NPC277426
0.8846	High Similarity	NPC470841
0.8841	High Similarity	NPC469579
0.8832	High Similarity	NPC477535
0.8777	High Similarity	NPC469542
0.8777	High Similarity	NPC472006
0.876	High Similarity	NPC91475
0.876	High Similarity	NPC265910
0.875	High Similarity	NPC71256
0.8741	High Similarity	NPC27407
0.873	High Similarity	NPC233165
0.873	High Similarity	NPC184579
0.8705	High Similarity	NPC250755
0.8702	High Similarity	NPC71525
0.8696	High Similarity	NPC477537
0.8686	High Similarity	NPC212693
0.8686	High Similarity	NPC94248
0.8671	High Similarity	NPC476684
0.8662	High Similarity	NPC210320
0.8662	High Similarity	NPC472036
0.8652	High Similarity	NPC472034
0.8647	High Similarity	NPC473271
0.8633	High Similarity	NPC158634
0.8623	High Similarity	NPC477408
0.8613	High Similarity	NPC135837
0.8613	High Similarity	NPC70380
0.8611	High Similarity	NPC469619
0.8611	High Similarity	NPC469670
0.8605	High Similarity	NPC244351
0.8603	High Similarity	NPC182496
0.8603	High Similarity	NPC180905
0.8601	High Similarity	NPC73411
0.8601	High Similarity	NPC215711
0.8592	High Similarity	NPC107625
0.8592	High Similarity	NPC472033
0.8582	High Similarity	NPC89664
0.8582	High Similarity	NPC214702
0.8582	High Similarity	NPC470831
0.8582	High Similarity	NPC274085
0.8571	High Similarity	NPC125252
0.8561	High Similarity	NPC181715
0.8561	High Similarity	NPC158472
0.8552	High Similarity	NPC200773
0.8552	High Similarity	NPC215921
0.8552	High Similarity	NPC240768
0.8552	High Similarity	NPC70016
0.8551	High Similarity	NPC478200
0.8551	High Similarity	NPC191835
0.8551	High Similarity	NPC33144
0.855	High Similarity	NPC4164
0.8531	High Similarity	NPC125801
0.85	High Similarity	NPC313123
0.85	High Similarity	NPC478217
0.8489	Intermediate Similarity	NPC139634
0.8489	Intermediate Similarity	NPC32360
0.8489	Intermediate Similarity	NPC105456
0.8483	Intermediate Similarity	NPC475460
0.8478	Intermediate Similarity	NPC194579
0.8473	Intermediate Similarity	NPC6888
0.8472	Intermediate Similarity	NPC240253
0.8472	Intermediate Similarity	NPC471642
0.8472	Intermediate Similarity	NPC240622
0.8472	Intermediate Similarity	NPC471641
0.8467	Intermediate Similarity	NPC254832
0.8467	Intermediate Similarity	NPC29317
0.8467	Intermediate Similarity	NPC204257
0.8467	Intermediate Similarity	NPC298900
0.8467	Intermediate Similarity	NPC22222
0.8467	Intermediate Similarity	NPC281513
0.8467	Intermediate Similarity	NPC229638
0.8467	Intermediate Similarity	NPC470844
0.8467	Intermediate Similarity	NPC71108
0.8467	Intermediate Similarity	NPC267539
0.8467	Intermediate Similarity	NPC176102
0.8462	Intermediate Similarity	NPC311219
0.8462	Intermediate Similarity	NPC225173
0.8462	Intermediate Similarity	NPC237208
0.8462	Intermediate Similarity	NPC163846
0.8456	Intermediate Similarity	NPC200422
0.8456	Intermediate Similarity	NPC295406
0.8456	Intermediate Similarity	NPC289572
0.8456	Intermediate Similarity	NPC157478
0.844	Intermediate Similarity	NPC329493
0.8438	Intermediate Similarity	NPC90522
0.8438	Intermediate Similarity	NPC328459
0.8429	Intermediate Similarity	NPC165172
0.8425	Intermediate Similarity	NPC217423
0.8417	Intermediate Similarity	NPC126739
0.8417	Intermediate Similarity	NPC197666
0.8417	Intermediate Similarity	NPC472602
0.8414	Intermediate Similarity	NPC237440
0.8414	Intermediate Similarity	NPC270160
0.8413	Intermediate Similarity	NPC188907
0.8406	Intermediate Similarity	NPC291454
0.8403	Intermediate Similarity	NPC14098
0.8392	Intermediate Similarity	NPC29577
0.8392	Intermediate Similarity	NPC134621
0.8392	Intermediate Similarity	NPC478019
0.8392	Intermediate Similarity	NPC83272
0.838	Intermediate Similarity	NPC478202
0.838	Intermediate Similarity	NPC471731
0.8378	Intermediate Similarity	NPC99381
0.8372	Intermediate Similarity	NPC72977
0.837	Intermediate Similarity	NPC17840
0.837	Intermediate Similarity	NPC247477
0.8369	Intermediate Similarity	NPC53649
0.8369	Intermediate Similarity	NPC472035
0.8369	Intermediate Similarity	NPC472604
0.8369	Intermediate Similarity	NPC472605
0.8369	Intermediate Similarity	NPC478201
0.8369	Intermediate Similarity	NPC90411
0.8369	Intermediate Similarity	NPC130485
0.8359	Intermediate Similarity	NPC94637
0.8357	Intermediate Similarity	NPC268052
0.8357	Intermediate Similarity	NPC295339
0.8346	Intermediate Similarity	NPC477453
0.8346	Intermediate Similarity	NPC128825
0.8345	Intermediate Similarity	NPC477534
0.8345	Intermediate Similarity	NPC301915
0.8345	Intermediate Similarity	NPC261292
0.8345	Intermediate Similarity	NPC153417
0.8333	Intermediate Similarity	NPC473023
0.8333	Intermediate Similarity	NPC60389
0.8333	Intermediate Similarity	NPC470357
0.8333	Intermediate Similarity	NPC308799
0.8333	Intermediate Similarity	NPC32058
0.8333	Intermediate Similarity	NPC211565
0.8333	Intermediate Similarity	NPC85734
0.8322	Intermediate Similarity	NPC470932
0.8322	Intermediate Similarity	NPC469385
0.8322	Intermediate Similarity	NPC42540
0.8322	Intermediate Similarity	NPC95123
0.8322	Intermediate Similarity	NPC151607
0.8322	Intermediate Similarity	NPC66404
0.8322	Intermediate Similarity	NPC477409
0.8321	Intermediate Similarity	NPC217756
0.8321	Intermediate Similarity	NPC477536
0.8321	Intermediate Similarity	NPC472591
0.8321	Intermediate Similarity	NPC153783
0.8321	Intermediate Similarity	NPC283514
0.831	Intermediate Similarity	NPC49108
0.831	Intermediate Similarity	NPC471733
0.831	Intermediate Similarity	NPC96692
0.8309	Intermediate Similarity	NPC477412
0.8309	Intermediate Similarity	NPC219892
0.8309	Intermediate Similarity	NPC189823
0.8299	Intermediate Similarity	NPC39819
0.8298	Intermediate Similarity	NPC472600
0.8298	Intermediate Similarity	NPC472601
0.8296	Intermediate Similarity	NPC238309
0.8296	Intermediate Similarity	NPC474546
0.8288	Intermediate Similarity	NPC4423
0.8288	Intermediate Similarity	NPC77325
0.8286	Intermediate Similarity	NPC221104
0.8286	Intermediate Similarity	NPC475974
0.8286	Intermediate Similarity	NPC61590
0.8281	Intermediate Similarity	NPC240664
0.8276	Intermediate Similarity	NPC146884
0.8276	Intermediate Similarity	NPC61284
0.8276	Intermediate Similarity	NPC8817
0.8276	Intermediate Similarity	NPC113428
0.8273	Intermediate Similarity	NPC235115
0.8271	Intermediate Similarity	NPC472592
0.8264	Intermediate Similarity	NPC257558
0.8264	Intermediate Similarity	NPC312789
0.8261	Intermediate Similarity	NPC474394
0.8255	Intermediate Similarity	NPC16082
0.8255	Intermediate Similarity	NPC82592
0.8252	Intermediate Similarity	NPC471643
0.8252	Intermediate Similarity	NPC159721
0.8252	Intermediate Similarity	NPC471639
0.8248	Intermediate Similarity	NPC477406
0.8244	Intermediate Similarity	NPC198336

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470160 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	198
0.1-0.2	797
0.2-0.3	1415
0.3-0.4	2135
0.4-0.5	2278
0.5-0.6	1408
0.6-0.7	713
0.7-0.8	197
0.8-0.85	19
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8613	High Similarity	NPD2935	Discontinued
0.8462	Intermediate Similarity	NPD9717	Approved
0.8358	Intermediate Similarity	NPD6832	Phase 2
0.8357	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8346	Intermediate Similarity	NPD9493	Approved
0.8235	Intermediate Similarity	NPD411	Approved
0.8188	Intermediate Similarity	NPD447	Suspended
0.8188	Intermediate Similarity	NPD7819	Suspended
0.8163	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8156	Intermediate Similarity	NPD2346	Discontinued
0.8138	Intermediate Similarity	NPD2534	Approved
0.8138	Intermediate Similarity	NPD2533	Approved
0.8138	Intermediate Similarity	NPD2532	Approved
0.8134	Intermediate Similarity	NPD1203	Approved
0.8112	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8092	Intermediate Similarity	NPD4626	Approved
0.8074	Intermediate Similarity	NPD2798	Approved
0.8058	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD2799	Discontinued
0.8	Intermediate Similarity	NPD2797	Approved
0.7941	Intermediate Similarity	NPD1019	Discontinued
0.7879	Intermediate Similarity	NPD5691	Approved
0.7842	Intermediate Similarity	NPD3268	Approved
0.7842	Intermediate Similarity	NPD2313	Discontinued
0.7832	Intermediate Similarity	NPD1551	Phase 2
0.78	Intermediate Similarity	NPD3226	Approved
0.7794	Intermediate Similarity	NPD1283	Approved
0.7778	Intermediate Similarity	NPD9263	Approved
0.7778	Intermediate Similarity	NPD9264	Approved
0.7778	Intermediate Similarity	NPD9267	Approved
0.7762	Intermediate Similarity	NPD4308	Phase 3
0.7762	Intermediate Similarity	NPD1510	Phase 2
0.7761	Intermediate Similarity	NPD3496	Discontinued
0.774	Intermediate Similarity	NPD3750	Approved
0.774	Intermediate Similarity	NPD7003	Approved
0.774	Intermediate Similarity	NPD4628	Phase 3
0.773	Intermediate Similarity	NPD1240	Approved
0.7727	Intermediate Similarity	NPD7768	Phase 2
0.7718	Intermediate Similarity	NPD6273	Approved
0.7717	Intermediate Similarity	NPD74	Approved
0.7717	Intermediate Similarity	NPD9266	Approved
0.7712	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD6232	Discontinued
0.7704	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7677	Intermediate Similarity	NPD7075	Discontinued
0.7676	Intermediate Similarity	NPD6355	Discontinued
0.7673	Intermediate Similarity	NPD7473	Discontinued
0.7667	Intermediate Similarity	NPD5403	Approved
0.7662	Intermediate Similarity	NPD5402	Approved
0.7655	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7655	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7652	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7651	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7639	Intermediate Similarity	NPD7033	Discontinued
0.7622	Intermediate Similarity	NPD6653	Approved
0.7622	Intermediate Similarity	NPD1607	Approved
0.7619	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7603	Intermediate Similarity	NPD1549	Phase 2
0.7597	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD5404	Approved
0.7586	Intermediate Similarity	NPD2796	Approved
0.7586	Intermediate Similarity	NPD5408	Approved
0.7586	Intermediate Similarity	NPD5405	Approved
0.7586	Intermediate Similarity	NPD5406	Approved
0.7584	Intermediate Similarity	NPD6799	Approved
0.7582	Intermediate Similarity	NPD7411	Suspended
0.7574	Intermediate Similarity	NPD1281	Approved
0.7574	Intermediate Similarity	NPD1201	Approved
0.7556	Intermediate Similarity	NPD1778	Approved
0.7554	Intermediate Similarity	NPD5647	Approved
0.7552	Intermediate Similarity	NPD1933	Approved
0.7551	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD6005	Phase 3
0.7534	Intermediate Similarity	NPD6004	Phase 3
0.7534	Intermediate Similarity	NPD6002	Phase 3
0.7534	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7534	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD5401	Approved
0.7533	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD1934	Approved
0.7532	Intermediate Similarity	NPD6801	Discontinued
0.7518	Intermediate Similarity	NPD1608	Approved
0.7517	Intermediate Similarity	NPD3748	Approved
0.7516	Intermediate Similarity	NPD6599	Discontinued
0.7516	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD9281	Approved
0.7483	Intermediate Similarity	NPD4060	Phase 1
0.7483	Intermediate Similarity	NPD4307	Phase 2
0.7483	Intermediate Similarity	NPD2979	Phase 3
0.7482	Intermediate Similarity	NPD3266	Approved
0.7482	Intermediate Similarity	NPD1164	Approved
0.7482	Intermediate Similarity	NPD1470	Approved
0.7482	Intermediate Similarity	NPD3267	Approved
0.7469	Intermediate Similarity	NPD5844	Phase 1
0.7466	Intermediate Similarity	NPD4476	Approved
0.7466	Intermediate Similarity	NPD2438	Suspended
0.7466	Intermediate Similarity	NPD4477	Approved
0.7465	Intermediate Similarity	NPD6798	Discontinued
0.7462	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD9261	Approved
0.7455	Intermediate Similarity	NPD8313	Approved
0.7455	Intermediate Similarity	NPD8312	Approved
0.7451	Intermediate Similarity	NPD7458	Discontinued
0.7436	Intermediate Similarity	NPD3817	Phase 2
0.7421	Intermediate Similarity	NPD6959	Discontinued
0.7419	Intermediate Similarity	NPD6844	Discontinued
0.7415	Intermediate Similarity	NPD5763	Approved
0.7415	Intermediate Similarity	NPD5762	Approved
0.7415	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD2344	Approved
0.741	Intermediate Similarity	NPD1876	Approved
0.7407	Intermediate Similarity	NPD9545	Approved
0.7375	Intermediate Similarity	NPD5710	Approved
0.7375	Intermediate Similarity	NPD5711	Approved
0.7357	Intermediate Similarity	NPD6362	Approved
0.7353	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD1651	Approved
0.7343	Intermediate Similarity	NPD3764	Approved
0.7342	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD3749	Approved
0.7317	Intermediate Similarity	NPD7074	Phase 3
0.7308	Intermediate Similarity	NPD37	Approved
0.7308	Intermediate Similarity	NPD2182	Approved
0.7305	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD17	Approved
0.7286	Intermediate Similarity	NPD3225	Approved
0.7284	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD6166	Phase 2
0.7278	Intermediate Similarity	NPD3882	Suspended
0.7278	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD3972	Approved
0.7261	Intermediate Similarity	NPD2801	Approved
0.726	Intermediate Similarity	NPD6651	Approved
0.7256	Intermediate Similarity	NPD7054	Approved
0.7254	Intermediate Similarity	NPD9494	Approved
0.7246	Intermediate Similarity	NPD3847	Discontinued
0.7241	Intermediate Similarity	NPD4140	Approved
0.7237	Intermediate Similarity	NPD1511	Approved
0.723	Intermediate Similarity	NPD6100	Approved
0.723	Intermediate Similarity	NPD2531	Phase 2
0.723	Intermediate Similarity	NPD6099	Approved
0.7229	Intermediate Similarity	NPD6559	Discontinued
0.7226	Intermediate Similarity	NPD2649	Approved
0.7226	Intermediate Similarity	NPD2651	Approved
0.7226	Intermediate Similarity	NPD5585	Approved
0.7219	Intermediate Similarity	NPD2309	Approved
0.7214	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD7472	Approved
0.7195	Intermediate Similarity	NPD3818	Discontinued
0.7192	Intermediate Similarity	NPD230	Phase 1
0.719	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD4662	Approved
0.719	Intermediate Similarity	NPD4661	Approved
0.7185	Intermediate Similarity	NPD6671	Approved
0.7172	Intermediate Similarity	NPD6663	Approved
0.7172	Intermediate Similarity	NPD6233	Phase 2
0.7172	Intermediate Similarity	NPD520	Approved
0.7172	Intermediate Similarity	NPD8032	Phase 2
0.717	Intermediate Similarity	NPD4966	Approved
0.717	Intermediate Similarity	NPD4965	Approved
0.717	Intermediate Similarity	NPD4967	Phase 2
0.7164	Intermediate Similarity	NPD1241	Discontinued
0.7162	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD3134	Approved
0.7153	Intermediate Similarity	NPD1894	Discontinued
0.7153	Intermediate Similarity	NPD7095	Approved
0.7152	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD4110	Phase 3
0.7152	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1512	Approved
0.7135	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD2897	Discontinued
0.7133	Intermediate Similarity	NPD5736	Approved
0.7132	Intermediate Similarity	NPD164	Approved
0.7126	Intermediate Similarity	NPD7251	Discontinued
0.7124	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD2203	Discontinued
0.7118	Intermediate Similarity	NPD8150	Discontinued
0.7114	Intermediate Similarity	NPD6032	Approved
0.7107	Intermediate Similarity	NPD2379	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD290	Approved
0.7099	Intermediate Similarity	NPD1358	Approved
0.7097	Intermediate Similarity	NPD920	Approved
0.7091	Intermediate Similarity	NPD7177	Discontinued
0.7086	Intermediate Similarity	NPD1243	Approved
0.7086	Intermediate Similarity	NPD2800	Approved
0.7083	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7808	Phase 3
0.7078	Intermediate Similarity	NPD1578	Phase 2
0.7075	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD5124	Phase 1
0.7071	Intermediate Similarity	NPD1611	Approved
0.7071	Intermediate Similarity	NPD422	Phase 1
0.7067	Intermediate Similarity	NPD1471	Phase 3
0.7066	Intermediate Similarity	NPD6797	Phase 2

Structure

NPC470160 OpenBabel07101718292D 28 28 0 0 1 0 0 0 0 0999 V2000 -5.1962 12.0000 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 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 5.5000 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 -3.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 10.0000 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 -3.4641 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 7.5000 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 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 8.5000 0.0000 C 0 0 1 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 0.0000 -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 -3.4641 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 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 1 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 21 25 1 6 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	56673499
ChEMBL	CHEMBL1797235
ZINC

Physicochemical Properties

Molecular Weight:	390.28
ALogP:	-2.3062
MLogP:	3.66
XLogP:	8.629
# Rotatable Bonds:	20
Polar Surface Area:	55.76
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	28

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