NPASS Natural Product

Natural Product: NPC267231

Natural Product ID:	NPC267231
Common Name:	Crassumolide F
IUPAC Name:	(3aS,6E,10S,11E,14E,15aS)-10-hydroxy-6,10,14-trimethyl-3-methylidene-4,5,8,9,13,15a-hexahydro-3aH-cyclotetradeca[b]furan-2-one
Synonyms:	Crassumolide F
Molecular Formula:	C20H28O3
Standard InCHIKey:	ZTULQXRZMLCWON-GMHDYDHISA-N
Standard InCHI:	InChI=1S/C20H28O3/c1-14-7-5-11-20(4,22)12-6-8-15(2)13-18-17(10-9-14)16(3)19(21)23-18/h6-7,12-13,17-18,22H,3,5,8-11H2,1-2,4H3/b12-6+,14-7+,15-13+/t17-,18-,20-/m0/s1
Canonical SMILES:	C/C/1=CCC[C@](C)(O)/C=C/C/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/C
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
NPO27251	Lobophytum crassum	Species	Alcyoniidae	Eukaryota				PMID[18973388]

Biological Activity

Activity Type	# Activity
IC50	6

Activity Type	# Activity
Cell Line	5
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	>	5	ug/ml	24853321
NPT2	Others	Unspecified		IC50	>	5	ug/ml	17850214
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	5	ug/ml	18183025
NPT81	Cell Line	A549	Homo sapiens	IC50	>	5	ug/ml	23102654
NPT1031	Cell Line	Ca9-22	Homo sapiens	IC50	>	5	ug/ml	23031087
NPT65	Cell Line	HepG2	Homo sapiens	IC50	>	5	ug/ml	18417256

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 NPC267231 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	82
0.1-0.2	620
0.2-0.3	2979
0.3-0.4	7789
0.4-0.5	10037
0.5-0.6	5464
0.6-0.7	2892
0.7-0.8	893
0.8-0.85	87
0.85-0.9	36
0.9-0.95	7
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9589	High Similarity	NPC320630
0.9589	High Similarity	NPC116177
0.9589	High Similarity	NPC7563
0.9459	High Similarity	NPC108816
0.9459	High Similarity	NPC93763
0.9351	High Similarity	NPC250315
0.92	High Similarity	NPC471465
0.92	High Similarity	NPC196653
0.9167	High Similarity	NPC163003
0.9091	High Similarity	NPC325031
0.8919	High Similarity	NPC140287
0.8919	High Similarity	NPC476355
0.8889	High Similarity	NPC160138
0.8861	High Similarity	NPC169575
0.8861	High Similarity	NPC40746
0.8861	High Similarity	NPC473390
0.8861	High Similarity	NPC131669
0.8846	High Similarity	NPC24417
0.8831	High Similarity	NPC98557
0.8831	High Similarity	NPC167881
0.8784	High Similarity	NPC58956
0.8784	High Similarity	NPC269206
0.8784	High Similarity	NPC295633
0.875	High Similarity	NPC158756
0.875	High Similarity	NPC476804
0.8734	High Similarity	NPC229825
0.8684	High Similarity	NPC123360
0.8642	High Similarity	NPC255307
0.8642	High Similarity	NPC21469
0.8642	High Similarity	NPC470755
0.859	High Similarity	NPC470244
0.859	High Similarity	NPC470239
0.8571	High Similarity	NPC97516
0.8571	High Similarity	NPC179394
0.8571	High Similarity	NPC476028
0.8571	High Similarity	NPC171204
0.8571	High Similarity	NPC475855
0.8571	High Similarity	NPC144133
0.8571	High Similarity	NPC141789
0.8537	High Similarity	NPC305475
0.8537	High Similarity	NPC475461
0.8537	High Similarity	NPC469910
0.8519	High Similarity	NPC96259
0.8519	High Similarity	NPC114979
0.8519	High Similarity	NPC141193
0.8519	High Similarity	NPC191476
0.8442	Intermediate Similarity	NPC235906
0.8434	Intermediate Similarity	NPC72513
0.8415	Intermediate Similarity	NPC215364
0.8415	Intermediate Similarity	NPC165162
0.8395	Intermediate Similarity	NPC59097
0.8375	Intermediate Similarity	NPC141810
0.8375	Intermediate Similarity	NPC52861
0.8356	Intermediate Similarity	NPC194871
0.8354	Intermediate Similarity	NPC89128
0.8354	Intermediate Similarity	NPC270126
0.8354	Intermediate Similarity	NPC617
0.8333	Intermediate Similarity	NPC65603
0.8333	Intermediate Similarity	NPC476803
0.8333	Intermediate Similarity	NPC476805
0.8333	Intermediate Similarity	NPC470240
0.8333	Intermediate Similarity	NPC187568
0.8333	Intermediate Similarity	NPC475819
0.8333	Intermediate Similarity	NPC476794
0.8333	Intermediate Similarity	NPC41780
0.8312	Intermediate Similarity	NPC193351
0.8312	Intermediate Similarity	NPC226669
0.8312	Intermediate Similarity	NPC155587
0.8312	Intermediate Similarity	NPC329852
0.8312	Intermediate Similarity	NPC138408
0.8272	Intermediate Similarity	NPC474252
0.8272	Intermediate Similarity	NPC85772
0.8267	Intermediate Similarity	NPC67183
0.8256	Intermediate Similarity	NPC300312
0.8256	Intermediate Similarity	NPC261607
0.8256	Intermediate Similarity	NPC111114
0.825	Intermediate Similarity	NPC281132
0.8243	Intermediate Similarity	NPC470256
0.8235	Intermediate Similarity	NPC295312
0.8235	Intermediate Similarity	NPC474032
0.8205	Intermediate Similarity	NPC68819
0.8193	Intermediate Similarity	NPC125290
0.8193	Intermediate Similarity	NPC261380
0.8182	Intermediate Similarity	NPC304886
0.8171	Intermediate Similarity	NPC116543
0.8161	Intermediate Similarity	NPC475838
0.8161	Intermediate Similarity	NPC228451
0.8161	Intermediate Similarity	NPC475912
0.8161	Intermediate Similarity	NPC125674
0.8158	Intermediate Similarity	NPC129665
0.8148	Intermediate Similarity	NPC281949
0.8148	Intermediate Similarity	NPC25684
0.8148	Intermediate Similarity	NPC301477
0.814	Intermediate Similarity	NPC469368
0.814	Intermediate Similarity	NPC474232
0.814	Intermediate Similarity	NPC474761
0.814	Intermediate Similarity	NPC476004
0.814	Intermediate Similarity	NPC51004
0.8125	Intermediate Similarity	NPC178277
0.8125	Intermediate Similarity	NPC469617
0.8125	Intermediate Similarity	NPC475210
0.8125	Intermediate Similarity	NPC264227
0.8125	Intermediate Similarity	NPC63649
0.8125	Intermediate Similarity	NPC472965
0.8118	Intermediate Similarity	NPC473715
0.8118	Intermediate Similarity	NPC202672
0.8101	Intermediate Similarity	NPC57744
0.8095	Intermediate Similarity	NPC150755
0.8072	Intermediate Similarity	NPC14575
0.8072	Intermediate Similarity	NPC70424
0.8072	Intermediate Similarity	NPC196487
0.8072	Intermediate Similarity	NPC243618
0.8072	Intermediate Similarity	NPC295799
0.8072	Intermediate Similarity	NPC156485
0.8068	Intermediate Similarity	NPC474247
0.8068	Intermediate Similarity	NPC474338
0.8068	Intermediate Similarity	NPC81386
0.8068	Intermediate Similarity	NPC474035
0.8068	Intermediate Similarity	NPC167219
0.8049	Intermediate Similarity	NPC474291
0.8049	Intermediate Similarity	NPC89555
0.8049	Intermediate Similarity	NPC173609
0.8046	Intermediate Similarity	NPC30515
0.8046	Intermediate Similarity	NPC473321
0.8025	Intermediate Similarity	NPC233377
0.8023	Intermediate Similarity	NPC268298
0.8023	Intermediate Similarity	NPC218927
0.8023	Intermediate Similarity	NPC212598
0.8023	Intermediate Similarity	NPC206001
0.8023	Intermediate Similarity	NPC307411
0.8	Intermediate Similarity	NPC128276
0.8	Intermediate Similarity	NPC471462
0.8	Intermediate Similarity	NPC218477
0.7978	Intermediate Similarity	NPC36954
0.7978	Intermediate Similarity	NPC270013
0.7978	Intermediate Similarity	NPC14961
0.7975	Intermediate Similarity	NPC271070
0.7955	Intermediate Similarity	NPC295204
0.7955	Intermediate Similarity	NPC273579
0.7955	Intermediate Similarity	NPC288240
0.7955	Intermediate Similarity	NPC469645
0.7955	Intermediate Similarity	NPC469692
0.7955	Intermediate Similarity	NPC162205
0.7955	Intermediate Similarity	NPC476300
0.7955	Intermediate Similarity	NPC81419
0.7955	Intermediate Similarity	NPC179746
0.7952	Intermediate Similarity	NPC318468
0.7952	Intermediate Similarity	NPC272814
0.7949	Intermediate Similarity	NPC48641
0.7949	Intermediate Similarity	NPC114727
0.7949	Intermediate Similarity	NPC476590
0.7931	Intermediate Similarity	NPC301969
0.7931	Intermediate Similarity	NPC129419
0.7931	Intermediate Similarity	NPC37607
0.7931	Intermediate Similarity	NPC473619
0.7931	Intermediate Similarity	NPC473448
0.7927	Intermediate Similarity	NPC42470
0.7927	Intermediate Similarity	NPC471325
0.7907	Intermediate Similarity	NPC91248
0.7907	Intermediate Similarity	NPC136879
0.7907	Intermediate Similarity	NPC477302
0.7901	Intermediate Similarity	NPC19841
0.7901	Intermediate Similarity	NPC182550
0.7889	Intermediate Similarity	NPC279621
0.7889	Intermediate Similarity	NPC476315
0.7889	Intermediate Similarity	NPC230800
0.7882	Intermediate Similarity	NPC284902
0.7882	Intermediate Similarity	NPC116575
0.7882	Intermediate Similarity	NPC261721
0.7882	Intermediate Similarity	NPC67493
0.7882	Intermediate Similarity	NPC50637
0.7882	Intermediate Similarity	NPC469483
0.7882	Intermediate Similarity	NPC234038
0.7882	Intermediate Similarity	NPC122502
0.7875	Intermediate Similarity	NPC474760
0.7875	Intermediate Similarity	NPC474278
0.7875	Intermediate Similarity	NPC107668
0.7867	Intermediate Similarity	NPC21998
0.7865	Intermediate Similarity	NPC477131
0.7865	Intermediate Similarity	NPC470010
0.7865	Intermediate Similarity	NPC198853
0.7865	Intermediate Similarity	NPC121825
0.7865	Intermediate Similarity	NPC303942
0.7865	Intermediate Similarity	NPC262133
0.7865	Intermediate Similarity	NPC470013
0.7865	Intermediate Similarity	NPC323008
0.7865	Intermediate Similarity	NPC57405
0.7857	Intermediate Similarity	NPC472957
0.7857	Intermediate Similarity	NPC472958
0.7857	Intermediate Similarity	NPC82297
0.7841	Intermediate Similarity	NPC184463
0.7841	Intermediate Similarity	NPC208886
0.7841	Intermediate Similarity	NPC133698
0.7841	Intermediate Similarity	NPC12172
0.7831	Intermediate Similarity	NPC475690
0.7816	Intermediate Similarity	NPC106040
0.7816	Intermediate Similarity	NPC115179
0.7805	Intermediate Similarity	NPC302426
0.7805	Intermediate Similarity	NPC276356
0.7792	Intermediate Similarity	NPC4299

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC267231 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	105
0.1-0.2	1098
0.2-0.3	3478
0.3-0.4	2973
0.4-0.5	964
0.5-0.6	430
0.6-0.7	83
0.7-0.8	30
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
0.7738	Intermediate Similarity	NPD7154	Phase 3
0.7727	Intermediate Similarity	NPD5785	Approved
0.7558	Intermediate Similarity	NPD5363	Approved
0.7558	Intermediate Similarity	NPD1733	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD5362	Discontinued
0.7412	Intermediate Similarity	NPD4269	Approved
0.7412	Intermediate Similarity	NPD4270	Approved
0.7391	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD5790	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD4252	Approved
0.7356	Intermediate Similarity	NPD1694	Approved
0.7294	Intermediate Similarity	NPD5369	Approved
0.7273	Intermediate Similarity	NPD5786	Approved
0.7222	Intermediate Similarity	NPD1695	Approved
0.7176	Intermediate Similarity	NPD4822	Approved
0.7176	Intermediate Similarity	NPD4821	Approved
0.7176	Intermediate Similarity	NPD4820	Approved
0.7176	Intermediate Similarity	NPD4819	Approved
0.7143	Intermediate Similarity	NPD46	Approved
0.7143	Intermediate Similarity	NPD4271	Approved
0.7143	Intermediate Similarity	NPD2685	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6698	Approved
0.7143	Intermediate Similarity	NPD4268	Approved
0.7143	Intermediate Similarity	NPD5784	Clinical (unspecified phase)
0.7079	Intermediate Similarity	NPD4249	Approved
0.7011	Intermediate Similarity	NPD5209	Approved
0.7011	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7899	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD4250	Approved
0.7	Intermediate Similarity	NPD4251	Approved
0.6988	Remote Similarity	NPD8039	Approved
0.6979	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD4225	Approved
0.6966	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6932	Remote Similarity	NPD5332	Approved
0.6932	Remote Similarity	NPD5331	Approved
0.6897	Remote Similarity	NPD4790	Discontinued
0.6882	Remote Similarity	NPD7983	Approved
0.6848	Remote Similarity	NPD5370	Suspended
0.6842	Remote Similarity	NPD4246	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD4756	Discovery
0.6818	Remote Similarity	NPD6435	Approved
0.6809	Remote Similarity	NPD5779	Approved
0.6809	Remote Similarity	NPD5778	Approved
0.6796	Remote Similarity	NPD6371	Approved
0.6774	Remote Similarity	NPD7838	Discovery
0.6731	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6598	Remote Similarity	NPD7839	Suspended
0.6591	Remote Similarity	NPD5368	Approved
0.6582	Remote Similarity	NPD3197	Phase 1
0.6575	Remote Similarity	NPD3172	Approved
0.6574	Remote Similarity	NPD7115	Discovery
0.6562	Remote Similarity	NPD5282	Discontinued
0.6543	Remote Similarity	NPD4247	Clinical (unspecified phase)
0.6489	Remote Similarity	NPD6101	Approved
0.6489	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD3195	Phase 2
0.6486	Remote Similarity	NPD3196	Approved
0.6486	Remote Similarity	NPD4266	Approved
0.6486	Remote Similarity	NPD3194	Approved
0.6484	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD6399	Phase 3
0.642	Remote Similarity	NPD7331	Phase 2
0.64	Remote Similarity	NPD7640	Approved
0.64	Remote Similarity	NPD7639	Approved
0.6354	Remote Similarity	NPD7637	Suspended
0.6354	Remote Similarity	NPD6411	Approved
0.6344	Remote Similarity	NPD6422	Discontinued
0.6337	Remote Similarity	NPD5344	Discontinued
0.6301	Remote Similarity	NPD6927	Phase 3
0.63	Remote Similarity	NPD7638	Approved
0.6286	Remote Similarity	NPD6686	Approved
0.625	Remote Similarity	NPD3173	Approved
0.6238	Remote Similarity	NPD6648	Approved
0.6214	Remote Similarity	NPD6647	Phase 2
0.6204	Remote Similarity	NPD6053	Discontinued
0.6195	Remote Similarity	NPD8513	Phase 3
0.6195	Remote Similarity	NPD8515	Approved
0.6195	Remote Similarity	NPD8516	Approved
0.6195	Remote Similarity	NPD8517	Approved
0.617	Remote Similarity	NPD7334	Approved
0.617	Remote Similarity	NPD5330	Approved
0.617	Remote Similarity	NPD6409	Approved
0.617	Remote Similarity	NPD7146	Approved
0.617	Remote Similarity	NPD6684	Approved
0.617	Remote Similarity	NPD7521	Approved
0.617	Remote Similarity	NPD4519	Discontinued
0.617	Remote Similarity	NPD4623	Approved
0.6162	Remote Similarity	NPD5695	Phase 3
0.6139	Remote Similarity	NPD5696	Approved
0.6125	Remote Similarity	NPD368	Approved
0.6111	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.61	Remote Similarity	NPD4792	Clinical (unspecified phase)
0.6098	Remote Similarity	NPD7341	Phase 2
0.6087	Remote Similarity	NPD3667	Approved
0.6082	Remote Similarity	NPD5207	Approved
0.6081	Remote Similarity	NPD28	Approved
0.6081	Remote Similarity	NPD29	Approved
0.6061	Remote Similarity	NPD7748	Approved
0.6049	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.6042	Remote Similarity	NPD6903	Approved
0.6042	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.604	Remote Similarity	NPD6084	Phase 2
0.604	Remote Similarity	NPD7902	Approved
0.604	Remote Similarity	NPD6083	Phase 2
0.6038	Remote Similarity	NPD5697	Approved
0.6024	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.6022	Remote Similarity	NPD6110	Phase 1
0.602	Remote Similarity	NPD5284	Approved
0.602	Remote Similarity	NPD5281	Approved
0.602	Remote Similarity	NPD5693	Phase 1
0.6	Remote Similarity	NPD3618	Phase 1
0.5981	Remote Similarity	NPD6881	Approved
0.5981	Remote Similarity	NPD6899	Approved
0.5981	Remote Similarity	NPD6011	Approved
0.5976	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.5974	Remote Similarity	NPD342	Phase 1
0.5963	Remote Similarity	NPD6650	Approved
0.5963	Remote Similarity	NPD6649	Approved
0.5963	Remote Similarity	NPD7116	Clinical (unspecified phase)
0.596	Remote Similarity	NPD5781	Clinical (unspecified phase)
0.5957	Remote Similarity	NPD3665	Phase 1
0.5957	Remote Similarity	NPD3133	Approved
0.5957	Remote Similarity	NPD3666	Approved
0.5957	Remote Similarity	NPD4786	Approved
0.5949	Remote Similarity	NPD6109	Phase 1
0.5938	Remote Similarity	NPD3573	Approved
0.5932	Remote Similarity	NPD8074	Phase 3
0.5926	Remote Similarity	NPD6012	Approved
0.5926	Remote Similarity	NPD6014	Approved
0.5926	Remote Similarity	NPD6013	Approved
0.5895	Remote Similarity	NPD1696	Phase 3
0.589	Remote Similarity	NPD5343	Approved
0.589	Remote Similarity	NPD622	Approved
0.5876	Remote Similarity	NPD6672	Approved
0.5876	Remote Similarity	NPD5737	Approved
0.5872	Remote Similarity	NPD6883	Approved
0.5872	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.5872	Remote Similarity	NPD7290	Approved
0.5872	Remote Similarity	NPD2067	Discontinued
0.5872	Remote Similarity	NPD7102	Approved
0.587	Remote Similarity	NPD4695	Discontinued
0.5859	Remote Similarity	NPD6079	Approved
0.5859	Remote Similarity	NPD7515	Phase 2
0.5849	Remote Similarity	NPD5909	Discontinued
0.5842	Remote Similarity	NPD4629	Approved
0.5842	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD5210	Approved
0.5833	Remote Similarity	NPD3704	Approved
0.5833	Remote Similarity	NPD5690	Phase 2
0.5833	Remote Similarity	NPD5279	Phase 3
0.5833	Remote Similarity	NPD3174	Discontinued
0.5833	Remote Similarity	NPD4222	Approved
0.5824	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.5824	Remote Similarity	NPD3732	Approved
0.5818	Remote Similarity	NPD6617	Approved
0.5818	Remote Similarity	NPD2204	Approved
0.5818	Remote Similarity	NPD6847	Approved
0.5818	Remote Similarity	NPD6869	Approved
0.5818	Remote Similarity	NPD8130	Phase 1
0.5816	Remote Similarity	NPD6051	Approved
0.581	Remote Similarity	NPD5211	Phase 2
0.581	Remote Similarity	NPD7632	Discontinued
0.5795	Remote Similarity	NPD4732	Discontinued
0.5794	Remote Similarity	NPD6008	Approved
0.5794	Remote Similarity	NPD6675	Approved
0.5794	Remote Similarity	NPD7128	Approved
0.5794	Remote Similarity	NPD5739	Approved
0.5794	Remote Similarity	NPD6402	Approved
0.5789	Remote Similarity	NPD5766	Clinical (unspecified phase)
0.5784	Remote Similarity	NPD4228	Discovery
0.5784	Remote Similarity	NPD5349	Clinical (unspecified phase)
0.578	Remote Similarity	NPD6413	Approved
0.578	Remote Similarity	NPD6373	Approved
0.578	Remote Similarity	NPD6372	Approved
0.578	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.5766	Remote Similarity	NPD8297	Approved
0.5766	Remote Similarity	NPD6882	Approved
0.5745	Remote Similarity	NPD4223	Phase 3
0.5745	Remote Similarity	NPD4800	Clinical (unspecified phase)
0.5745	Remote Similarity	NPD4221	Approved
0.5743	Remote Similarity	NPD7900	Approved
0.5743	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.5743	Remote Similarity	NPD6001	Approved
0.5741	Remote Similarity	NPD5701	Approved
0.5732	Remote Similarity	NPD4192	Approved
0.5732	Remote Similarity	NPD4193	Approved
0.5732	Remote Similarity	NPD4194	Approved
0.5732	Remote Similarity	NPD4191	Approved
0.5727	Remote Similarity	NPD6420	Discontinued
0.5727	Remote Similarity	NPD6421	Discontinued
0.5714	Remote Similarity	NPD4518	Approved
0.5714	Remote Similarity	NPD5208	Approved
0.5702	Remote Similarity	NPD7500	Approved
0.5701	Remote Similarity	NPD5141	Approved
0.57	Remote Similarity	NPD8034	Phase 2
0.57	Remote Similarity	NPD5694	Approved
0.57	Remote Similarity	NPD8035	Phase 2
0.5699	Remote Similarity	NPD8259	Clinical (unspecified phase)

Structure

NPC267231 OpenBabel07101718232D 23 24 0 0 1 0 0 0 0 0999 V2000 -3.7111 3.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 -2.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0773 2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9423 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1731 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 -1.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 2.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 -1.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 2.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 1.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4679 0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7555 -1.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 2.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 -1.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2412 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1355 1.1526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9865 0.1638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4606 0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 -0.4892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4495 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 -0.3401 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 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 11 20 1 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 10 1 1 0 0 0 17 18 1 0 0 0 0 18 13 1 1 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 4 1 6 0 0 0 20 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25156701
ChEMBL	CHEMBL578440
ZINC

Physicochemical Properties

Molecular Weight:	316.20
ALogP:	3.2052
MLogP:	3.33
XLogP:	3.548
# Rotatable Bonds:	4
Polar Surface Area:	46.53
# H-Bond Aceptor:	3
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	23

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