NPASS Natural Product

Natural Product: NPC475251

Natural Product ID:	NPC475251
Common Name:	Diacardiol A
IUPAC Name:	(E)-7,11-dimethyl-13-(2,6,6-trimethylcyclohexen-1-yl)tridec-10-ene-4,7-diol
Synonyms:
Molecular Formula:	C24H44O2
Standard InCHIKey:	QFNAZHJHBGQQAF-YBFXNURJSA-N
Standard InCHI:	InChI=1S/C24H44O2/c1-7-10-21(25)15-18-24(6,26)17-8-11-19(2)13-14-22-20(3)12-9-16-23(22,4)5/h11,21,25-26H,7-10,12-18H2,1-6H3/b19-11+
Canonical SMILES:	CCCC(CCC(CC/C=C(/CCC1=C(C)CCCC1(C)C)C)(O)C)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
NPO9347	Diacarnus megaspinorhabdosa	Species	Podospongiidae	Eukaryota				PMID[18672931]

Biological Activity

Activity Type	# Activity
EC50	3
Others	2

Activity Type	# Activity
Cell Line	3
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	EC50	>	10	ug/ml	24660966
NPT681	Cell Line	PC-12	Rattus norvegicus	EC50	>	10	ug/ml	24660966
NPT1864	Cell Line	L5178Y	Mus musculus	EC50	=	4.8	ug/ml	10.1007/s00044-010-9321-6
NPT176	Organism	Artemia salina	Artemia salina	Activity	=	40	%	14761187
NPT176	Organism	Artemia salina	Artemia salina	Activity	=	20	%	PubChem BioAssay data set

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 NPC475251 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	68
0.1-0.2	852
0.2-0.3	5399
0.3-0.4	11791
0.4-0.5	4979
0.5-0.6	5443
0.6-0.7	1905
0.7-0.8	434
0.8-0.85	17
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.871	High Similarity	NPC290367
0.8413	Intermediate Similarity	NPC225415
0.8308	Intermediate Similarity	NPC114651
0.8308	Intermediate Similarity	NPC96962
0.8235	Intermediate Similarity	NPC474140
0.8209	Intermediate Similarity	NPC34834
0.8182	Intermediate Similarity	NPC208999
0.8088	Intermediate Similarity	NPC167706
0.8088	Intermediate Similarity	NPC242001
0.8088	Intermediate Similarity	NPC164022
0.8065	Intermediate Similarity	NPC122239
0.8033	Intermediate Similarity	NPC52012
0.803	Intermediate Similarity	NPC45782
0.8	Intermediate Similarity	NPC291503
0.8	Intermediate Similarity	NPC328104
0.8	Intermediate Similarity	NPC471200
0.8	Intermediate Similarity	NPC281590
0.8	Intermediate Similarity	NPC319090
0.7971	Intermediate Similarity	NPC471799
0.7971	Intermediate Similarity	NPC68443
0.7969	Intermediate Similarity	NPC83200
0.7941	Intermediate Similarity	NPC145498
0.7941	Intermediate Similarity	NPC92801
0.7903	Intermediate Similarity	NPC226848
0.7887	Intermediate Similarity	NPC274079
0.7887	Intermediate Similarity	NPC167873
0.7887	Intermediate Similarity	NPC265588
0.7887	Intermediate Similarity	NPC477925
0.7887	Intermediate Similarity	NPC1973
0.7879	Intermediate Similarity	NPC222366
0.7879	Intermediate Similarity	NPC286669
0.7879	Intermediate Similarity	NPC250977
0.7879	Intermediate Similarity	NPC476039
0.7869	Intermediate Similarity	NPC48891
0.7857	Intermediate Similarity	NPC27395
0.7857	Intermediate Similarity	NPC243342
0.7857	Intermediate Similarity	NPC471797
0.7857	Intermediate Similarity	NPC91858
0.7857	Intermediate Similarity	NPC329090
0.7857	Intermediate Similarity	NPC477138
0.7846	Intermediate Similarity	NPC309300
0.7846	Intermediate Similarity	NPC96793
0.7846	Intermediate Similarity	NPC323424
0.7812	Intermediate Similarity	NPC321867
0.7812	Intermediate Similarity	NPC207007
0.7812	Intermediate Similarity	NPC68679
0.7794	Intermediate Similarity	NPC471560
0.7794	Intermediate Similarity	NPC473893
0.7778	Intermediate Similarity	NPC475931
0.7778	Intermediate Similarity	NPC130136
0.7778	Intermediate Similarity	NPC155986
0.7778	Intermediate Similarity	NPC198968
0.7778	Intermediate Similarity	NPC318495
0.7761	Intermediate Similarity	NPC69649
0.7761	Intermediate Similarity	NPC68703
0.7761	Intermediate Similarity	NPC197805
0.7746	Intermediate Similarity	NPC477923
0.7746	Intermediate Similarity	NPC66566
0.7727	Intermediate Similarity	NPC61503
0.7727	Intermediate Similarity	NPC238352
0.7727	Intermediate Similarity	NPC163678
0.7727	Intermediate Similarity	NPC477009
0.7727	Intermediate Similarity	NPC308844
0.7714	Intermediate Similarity	NPC182717
0.7714	Intermediate Similarity	NPC130665
0.7671	Intermediate Similarity	NPC300499
0.7656	Intermediate Similarity	NPC135648
0.7656	Intermediate Similarity	NPC66020
0.7656	Intermediate Similarity	NPC240506
0.7647	Intermediate Similarity	NPC216460
0.7647	Intermediate Similarity	NPC96484
0.7647	Intermediate Similarity	NPC471238
0.7639	Intermediate Similarity	NPC315261
0.7639	Intermediate Similarity	NPC107059
0.7639	Intermediate Similarity	NPC106432
0.7639	Intermediate Similarity	NPC321016
0.7639	Intermediate Similarity	NPC321381
0.7612	Intermediate Similarity	NPC476406
0.7612	Intermediate Similarity	NPC267027
0.7612	Intermediate Similarity	NPC279434
0.7612	Intermediate Similarity	NPC149680
0.7606	Intermediate Similarity	NPC78527
0.7606	Intermediate Similarity	NPC476366
0.7606	Intermediate Similarity	NPC100334
0.7606	Intermediate Similarity	NPC306727
0.7606	Intermediate Similarity	NPC201048
0.7576	Intermediate Similarity	NPC300593
0.7571	Intermediate Similarity	NPC471272
0.7571	Intermediate Similarity	NPC110799
0.7571	Intermediate Similarity	NPC23954
0.7568	Intermediate Similarity	NPC328714
0.7568	Intermediate Similarity	NPC291379
0.7568	Intermediate Similarity	NPC80530
0.7568	Intermediate Similarity	NPC273410
0.7536	Intermediate Similarity	NPC167272
0.7536	Intermediate Similarity	NPC239373
0.7536	Intermediate Similarity	NPC329989
0.7536	Intermediate Similarity	NPC269877
0.7536	Intermediate Similarity	NPC9942
0.7536	Intermediate Similarity	NPC474248
0.7534	Intermediate Similarity	NPC470711
0.7534	Intermediate Similarity	NPC34177
0.7534	Intermediate Similarity	NPC157996
0.7534	Intermediate Similarity	NPC214570
0.7534	Intermediate Similarity	NPC477924
0.7534	Intermediate Similarity	NPC325946
0.7534	Intermediate Similarity	NPC40394
0.7534	Intermediate Similarity	NPC90979
0.7534	Intermediate Similarity	NPC472805
0.7534	Intermediate Similarity	NPC91594
0.7534	Intermediate Similarity	NPC471798
0.7534	Intermediate Similarity	NPC470758
0.7534	Intermediate Similarity	NPC283619
0.7534	Intermediate Similarity	NPC101475
0.75	Intermediate Similarity	NPC472255
0.75	Intermediate Similarity	NPC472253
0.75	Intermediate Similarity	NPC257347
0.75	Intermediate Similarity	NPC285893
0.75	Intermediate Similarity	NPC157781
0.75	Intermediate Similarity	NPC179169
0.75	Intermediate Similarity	NPC181255
0.75	Intermediate Similarity	NPC28657
0.75	Intermediate Similarity	NPC69383
0.75	Intermediate Similarity	NPC304309
0.75	Intermediate Similarity	NPC5698
0.75	Intermediate Similarity	NPC141071
0.75	Intermediate Similarity	NPC35519
0.75	Intermediate Similarity	NPC82337
0.75	Intermediate Similarity	NPC313179
0.75	Intermediate Similarity	NPC278202
0.75	Intermediate Similarity	NPC230301
0.75	Intermediate Similarity	NPC259299
0.75	Intermediate Similarity	NPC134847
0.75	Intermediate Similarity	NPC136188
0.75	Intermediate Similarity	NPC32832
0.75	Intermediate Similarity	NPC73603
0.75	Intermediate Similarity	NPC288035
0.75	Intermediate Similarity	NPC162742
0.75	Intermediate Similarity	NPC171148
0.75	Intermediate Similarity	NPC306195
0.75	Intermediate Similarity	NPC22105
0.75	Intermediate Similarity	NPC471723
0.7467	Intermediate Similarity	NPC102253
0.7467	Intermediate Similarity	NPC209944
0.7467	Intermediate Similarity	NPC241290
0.7467	Intermediate Similarity	NPC287749
0.7467	Intermediate Similarity	NPC164840
0.7467	Intermediate Similarity	NPC322313
0.7467	Intermediate Similarity	NPC96362
0.7467	Intermediate Similarity	NPC236237
0.7465	Intermediate Similarity	NPC329763
0.7463	Intermediate Similarity	NPC19569
0.7463	Intermediate Similarity	NPC287339
0.7458	Intermediate Similarity	NPC329773
0.7432	Intermediate Similarity	NPC275910
0.7432	Intermediate Similarity	NPC6978
0.7432	Intermediate Similarity	NPC158662
0.7432	Intermediate Similarity	NPC470396
0.7432	Intermediate Similarity	NPC98386
0.7432	Intermediate Similarity	NPC167891
0.7432	Intermediate Similarity	NPC22955
0.7432	Intermediate Similarity	NPC83351
0.7432	Intermediate Similarity	NPC99168
0.7432	Intermediate Similarity	NPC230295
0.7432	Intermediate Similarity	NPC253807
0.7432	Intermediate Similarity	NPC138621
0.7432	Intermediate Similarity	NPC473943
0.7432	Intermediate Similarity	NPC476314
0.7432	Intermediate Similarity	NPC244385
0.7432	Intermediate Similarity	NPC285761
0.7432	Intermediate Similarity	NPC477514
0.7432	Intermediate Similarity	NPC474216
0.7432	Intermediate Similarity	NPC474989
0.7432	Intermediate Similarity	NPC87604
0.7432	Intermediate Similarity	NPC167037
0.7432	Intermediate Similarity	NPC477522
0.7432	Intermediate Similarity	NPC196753
0.7429	Intermediate Similarity	NPC9161
0.7429	Intermediate Similarity	NPC189745
0.7429	Intermediate Similarity	NPC49422
0.7429	Intermediate Similarity	NPC470041
0.7424	Intermediate Similarity	NPC473759
0.7424	Intermediate Similarity	NPC81615
0.7424	Intermediate Similarity	NPC279200
0.7424	Intermediate Similarity	NPC474155
0.7424	Intermediate Similarity	NPC211291
0.7424	Intermediate Similarity	NPC133368
0.7419	Intermediate Similarity	NPC227135
0.7419	Intermediate Similarity	NPC223604
0.7419	Intermediate Similarity	NPC218525
0.7397	Intermediate Similarity	NPC113733
0.7397	Intermediate Similarity	NPC247325
0.7397	Intermediate Similarity	NPC129165
0.7397	Intermediate Similarity	NPC470749
0.7397	Intermediate Similarity	NPC240604
0.7397	Intermediate Similarity	NPC189883
0.7397	Intermediate Similarity	NPC73875
0.7397	Intermediate Similarity	NPC46160
0.7397	Intermediate Similarity	NPC290598
0.7397	Intermediate Similarity	NPC106364

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475251 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	94
0.1-0.2	1543
0.2-0.3	4358
0.3-0.4	2244
0.4-0.5	516
0.5-0.6	300
0.6-0.7	73
0.7-0.8	33
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
0.7857	Intermediate Similarity	NPD6924	Approved
0.7857	Intermediate Similarity	NPD6926	Approved
0.7812	Intermediate Similarity	NPD368	Approved
0.7639	Intermediate Similarity	NPD6933	Approved
0.7536	Intermediate Similarity	NPD6923	Approved
0.7536	Intermediate Similarity	NPD6922	Approved
0.75	Intermediate Similarity	NPD8264	Approved
0.75	Intermediate Similarity	NPD7339	Approved
0.75	Intermediate Similarity	NPD6942	Approved
0.7467	Intermediate Similarity	NPD7509	Discontinued
0.7467	Intermediate Similarity	NPD7525	Registered
0.7429	Intermediate Similarity	NPD7143	Approved
0.7429	Intermediate Similarity	NPD7144	Approved
0.7397	Intermediate Similarity	NPD3701	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD7645	Phase 2
0.7324	Intermediate Similarity	NPD7152	Approved
0.7324	Intermediate Similarity	NPD7151	Approved
0.7324	Intermediate Similarity	NPD7150	Approved
0.7302	Intermediate Similarity	NPD4219	Approved
0.7297	Intermediate Similarity	NPD6932	Approved
0.7237	Intermediate Similarity	NPD6931	Approved
0.7237	Intermediate Similarity	NPD6930	Phase 2
0.72	Intermediate Similarity	NPD7322	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD342	Phase 1
0.7105	Intermediate Similarity	NPD6929	Approved
0.7105	Intermediate Similarity	NPD6683	Phase 2
0.7101	Intermediate Similarity	NPD7331	Phase 2
0.7089	Intermediate Similarity	NPD7338	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD4243	Approved
0.7067	Intermediate Similarity	NPD5776	Phase 2
0.7067	Intermediate Similarity	NPD6925	Approved
0.7013	Intermediate Similarity	NPD7332	Phase 2
0.7013	Intermediate Similarity	NPD7514	Phase 3
0.6974	Remote Similarity	NPD7145	Approved
0.6962	Remote Similarity	NPD6695	Phase 3
0.6923	Remote Similarity	NPD6898	Phase 1
0.6892	Remote Similarity	NPD4784	Approved
0.6892	Remote Similarity	NPD4785	Approved
0.6875	Remote Similarity	NPD4786	Approved
0.6835	Remote Similarity	NPD3667	Approved
0.6795	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.679	Remote Similarity	NPD6893	Approved
0.6757	Remote Similarity	NPD4732	Discontinued
0.6709	Remote Similarity	NPD6902	Approved
0.6667	Remote Similarity	NPD3133	Approved
0.6667	Remote Similarity	NPD3665	Phase 1
0.6667	Remote Similarity	NPD3666	Approved
0.6627	Remote Similarity	NPD7524	Approved
0.6627	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD7750	Discontinued
0.6582	Remote Similarity	NPD4748	Discontinued
0.6579	Remote Similarity	NPD4190	Phase 3
0.6579	Remote Similarity	NPD5275	Approved
0.6506	Remote Similarity	NPD5279	Phase 3
0.6506	Remote Similarity	NPD3618	Phase 1
0.65	Remote Similarity	NPD4265	Approved
0.6479	Remote Similarity	NPD7341	Phase 2
0.6471	Remote Similarity	NPD5328	Approved
0.6463	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD4195	Approved
0.6437	Remote Similarity	NPD4202	Approved
0.6375	Remote Similarity	NPD4821	Approved
0.6375	Remote Similarity	NPD4819	Approved
0.6375	Remote Similarity	NPD4822	Approved
0.6375	Remote Similarity	NPD4820	Approved
0.6364	Remote Similarity	NPD8039	Approved
0.6351	Remote Similarity	NPD791	Approved
0.6351	Remote Similarity	NPD15	Approved
0.6338	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6329	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6322	Remote Similarity	NPD7087	Discontinued
0.6322	Remote Similarity	NPD7515	Phase 2
0.6322	Remote Similarity	NPD6079	Approved
0.6322	Remote Similarity	NPD6411	Approved
0.6286	Remote Similarity	NPD4193	Approved
0.6286	Remote Similarity	NPD4194	Approved
0.6286	Remote Similarity	NPD4192	Approved
0.6286	Remote Similarity	NPD4191	Approved
0.6279	Remote Similarity	NPD4753	Phase 2
0.625	Remote Similarity	NPD6399	Phase 3
0.625	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.622	Remote Similarity	NPD4221	Approved
0.622	Remote Similarity	NPD4223	Phase 3
0.619	Remote Similarity	NPD8262	Approved
0.619	Remote Similarity	NPD1696	Phase 3
0.619	Remote Similarity	NPD5329	Approved
0.6173	Remote Similarity	NPD4695	Discontinued
0.6173	Remote Similarity	NPD5368	Approved
0.6154	Remote Similarity	NPD4755	Approved
0.6133	Remote Similarity	NPD1082	Approved
0.6125	Remote Similarity	NPD4268	Approved
0.6125	Remote Similarity	NPD4271	Approved
0.6111	Remote Similarity	NPD3197	Phase 1
0.6098	Remote Similarity	NPD5369	Approved
0.6092	Remote Similarity	NPD6101	Approved
0.6092	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6071	Remote Similarity	NPD3668	Phase 3
0.6071	Remote Similarity	NPD4197	Approved
0.6024	Remote Similarity	NPD6435	Approved
0.6023	Remote Similarity	NPD7136	Phase 2
0.6022	Remote Similarity	NPD4696	Approved
0.6022	Remote Similarity	NPD5286	Approved
0.6022	Remote Similarity	NPD5285	Approved
0.6022	Remote Similarity	NPD4700	Approved
0.6	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7748	Approved
0.5978	Remote Similarity	NPD7902	Approved
0.5978	Remote Similarity	NPD6083	Phase 2
0.5978	Remote Similarity	NPD6084	Phase 2
0.5976	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.5957	Remote Similarity	NPD5223	Approved
0.5955	Remote Similarity	NPD7637	Suspended
0.5952	Remote Similarity	NPD4788	Approved
0.5952	Remote Similarity	NPD5362	Discontinued
0.5952	Remote Similarity	NPD7154	Phase 3
0.5952	Remote Similarity	NPD5332	Approved
0.5952	Remote Similarity	NPD5331	Approved
0.5934	Remote Similarity	NPD4629	Approved
0.5934	Remote Similarity	NPD5210	Approved
0.593	Remote Similarity	NPD4688	Approved
0.593	Remote Similarity	NPD7334	Approved
0.593	Remote Similarity	NPD4623	Approved
0.593	Remote Similarity	NPD4138	Approved
0.593	Remote Similarity	NPD5330	Approved
0.593	Remote Similarity	NPD5690	Phase 2
0.593	Remote Similarity	NPD6684	Approved
0.593	Remote Similarity	NPD4690	Approved
0.593	Remote Similarity	NPD6409	Approved
0.593	Remote Similarity	NPD4689	Approved
0.593	Remote Similarity	NPD7146	Approved
0.593	Remote Similarity	NPD4519	Discontinued
0.593	Remote Similarity	NPD5280	Approved
0.593	Remote Similarity	NPD4694	Approved
0.593	Remote Similarity	NPD4693	Phase 3
0.593	Remote Similarity	NPD7521	Approved
0.593	Remote Similarity	NPD5205	Approved
0.5915	Remote Similarity	NPD4246	Clinical (unspecified phase)
0.5909	Remote Similarity	NPD6051	Approved
0.5904	Remote Similarity	NPD4790	Discontinued
0.5895	Remote Similarity	NPD4633	Approved
0.5895	Remote Similarity	NPD5224	Approved
0.5895	Remote Similarity	NPD5225	Approved
0.5895	Remote Similarity	NPD5226	Approved
0.5895	Remote Similarity	NPD5211	Phase 2
0.5889	Remote Similarity	NPD5779	Approved
0.5889	Remote Similarity	NPD5778	Approved
0.5876	Remote Similarity	NPD7128	Approved
0.5876	Remote Similarity	NPD6402	Approved
0.5876	Remote Similarity	NPD6675	Approved
0.5876	Remote Similarity	NPD5739	Approved
0.5875	Remote Similarity	NPD1346	Approved
0.587	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.587	Remote Similarity	NPD5221	Approved
0.587	Remote Similarity	NPD4697	Phase 3
0.587	Remote Similarity	NPD5222	Approved
0.5843	Remote Similarity	NPD6698	Approved
0.5843	Remote Similarity	NPD46	Approved
0.5833	Remote Similarity	NPD4270	Approved
0.5833	Remote Similarity	NPD5174	Approved
0.5833	Remote Similarity	NPD5175	Approved
0.5833	Remote Similarity	NPD4269	Approved
0.5833	Remote Similarity	NPD4754	Approved
0.5824	Remote Similarity	NPD5282	Discontinued
0.5814	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.5806	Remote Similarity	NPD5173	Approved
0.5795	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.5795	Remote Similarity	NPD4723	Approved
0.5795	Remote Similarity	NPD6903	Approved
0.5795	Remote Similarity	NPD4518	Approved
0.5795	Remote Similarity	NPD4722	Approved
0.5778	Remote Similarity	NPD5281	Approved
0.5778	Remote Similarity	NPD5284	Approved
0.5773	Remote Similarity	NPD5141	Approved
0.5761	Remote Similarity	NPD5695	Phase 3
0.5758	Remote Similarity	NPD7320	Approved
0.5758	Remote Similarity	NPD6899	Approved
0.5758	Remote Similarity	NPD6881	Approved
0.5753	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.5747	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5745	Remote Similarity	NPD5290	Discontinued
0.5745	Remote Similarity	NPD7638	Approved
0.5735	Remote Similarity	NPD3729	Clinical (unspecified phase)
0.5735	Remote Similarity	NPD3194	Approved
0.5735	Remote Similarity	NPD3195	Phase 2
0.5735	Remote Similarity	NPD3196	Approved
0.5735	Remote Similarity	NPD4266	Approved
0.5733	Remote Similarity	NPD3704	Approved
0.5732	Remote Similarity	NPD3617	Approved
0.5714	Remote Similarity	NPD4139	Approved
0.5714	Remote Similarity	NPD4768	Approved
0.5714	Remote Similarity	NPD4767	Approved
0.5714	Remote Similarity	NPD4692	Approved
0.57	Remote Similarity	NPD6373	Approved
0.57	Remote Similarity	NPD6372	Approved
0.5694	Remote Similarity	NPD1145	Discontinued
0.5684	Remote Similarity	NPD7639	Approved
0.5684	Remote Similarity	NPD7640	Approved
0.5676	Remote Similarity	NPD277	Approved
0.5667	Remote Similarity	NPD4001	Clinical (unspecified phase)
0.5667	Remote Similarity	NPD3168	Discontinued

Structure

NPC475251 OpenBabel07101719252D 26 26 0 0 1 0 0 0 0 0999 V2000 -9.5263 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 0.8660 -2.5000 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 -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5263 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 0.0000 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 -1.0000 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 -6.9282 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 -5.1962 -1.0000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 0.5000 0.0000 C 0 0 3 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 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7942 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6962 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 21 1 0 0 0 0 11 19 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 24 1 0 0 0 0 20 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25018211
ChEMBL	CHEMBL502018
ZINC

Physicochemical Properties

Molecular Weight:	364.33
ALogP:	1.6463
MLogP:	3.88
XLogP:	6.876
# Rotatable Bonds:	19
Polar Surface Area:	40.46
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	1
# Heavy Atoms:	26

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