NPASS Natural Product

Natural Product: NPC57744

Natural Product ID:	NPC57744
Common Name:	Sarcostolide F
IUPAC Name:	(1S,2R,5E,8Z)-5,9-dimethyl-2-propan-2-yl-15-oxabicyclo[11.2.1]hexadeca-5,8,13(16)-triene-4,11,14-trione
Synonyms:	Sarcostolide F
Molecular Formula:	C20H26O4
Standard InCHIKey:	XYKVOCNWMFQQKL-NZBROFJPSA-N
Standard InCHI:	InChI=1S/C20H26O4/c1-12(2)17-11-18(22)14(4)7-5-6-13(3)8-16(21)9-15-10-19(17)24-20(15)23/h6-7,10,12,17,19H,5,8-9,11H2,1-4H3/b13-6-,14-7+/t17-,19-/m1/s1
Canonical SMILES:	O=C1C/C(=CC/C=C(C)/C(=O)C[C@@H]([C@H]2C=C(C1)C(=O)O2)C(C)C)/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
NPO29001	Sarcophyton stolidotum	Species	Orchidaceae	Eukaryota		Taiwan		PMID[18537291]

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	Inhibition	=	7.32	%	18973388
NPT1183	Cell Line	WiDr	Homo sapiens	Inhibition	=	29.84	%	DrugMatrix in vitro pharmacology data

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 NPC57744 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	108
0.1-0.2	768
0.2-0.3	3571
0.3-0.4	9318
0.4-0.5	8498
0.5-0.6	4923
0.6-0.7	2809
0.7-0.8	777
0.8-0.85	97
0.85-0.9	10
0.9-0.95	4
0.95-1	6

Similarity Score	Similarity Level	Natural Product ID
0.9861	High Similarity	NPC128276
0.9726	High Similarity	NPC178277
0.9577	High Similarity	NPC15499
0.9577	High Similarity	NPC259599
0.9577	High Similarity	NPC117746
0.9577	High Similarity	NPC294434
0.9467	High Similarity	NPC42470
0.9467	High Similarity	NPC471325
0.9054	High Similarity	NPC123360
0.9041	High Similarity	NPC476355
0.8919	High Similarity	NPC244166
0.8846	High Similarity	NPC173609
0.8784	High Similarity	NPC140287
0.8784	High Similarity	NPC474758
0.8767	High Similarity	NPC163003
0.8701	High Similarity	NPC270126
0.8571	High Similarity	NPC108816
0.8571	High Similarity	NPC93763
0.8514	High Similarity	NPC129665
0.85	High Similarity	NPC475947
0.8481	Intermediate Similarity	NPC281949
0.8481	Intermediate Similarity	NPC25684
0.8481	Intermediate Similarity	NPC301477
0.8481	Intermediate Similarity	NPC325031
0.8442	Intermediate Similarity	NPC476794
0.8442	Intermediate Similarity	NPC187568
0.8442	Intermediate Similarity	NPC65603
0.8442	Intermediate Similarity	NPC141789
0.8442	Intermediate Similarity	NPC476028
0.8442	Intermediate Similarity	NPC97516
0.8442	Intermediate Similarity	NPC171204
0.8442	Intermediate Similarity	NPC41780
0.8442	Intermediate Similarity	NPC470240
0.8421	Intermediate Similarity	NPC155587
0.8421	Intermediate Similarity	NPC226669
0.8421	Intermediate Similarity	NPC329852
0.8421	Intermediate Similarity	NPC138408
0.8421	Intermediate Similarity	NPC193351
0.8415	Intermediate Similarity	NPC261721
0.8415	Intermediate Similarity	NPC107787
0.8415	Intermediate Similarity	NPC279859
0.8415	Intermediate Similarity	NPC38576
0.84	Intermediate Similarity	NPC58956
0.84	Intermediate Similarity	NPC269206
0.84	Intermediate Similarity	NPC295633
0.8395	Intermediate Similarity	NPC149869
0.8378	Intermediate Similarity	NPC67183
0.8375	Intermediate Similarity	NPC35556
0.8356	Intermediate Similarity	NPC470256
0.8356	Intermediate Similarity	NPC218477
0.8354	Intermediate Similarity	NPC281132
0.8333	Intermediate Similarity	NPC299235
0.8333	Intermediate Similarity	NPC471220
0.8312	Intermediate Similarity	NPC235906
0.8293	Intermediate Similarity	NPC78089
0.8293	Intermediate Similarity	NPC215364
0.8293	Intermediate Similarity	NPC189311
0.8272	Intermediate Similarity	NPC474703
0.8272	Intermediate Similarity	NPC193198
0.8272	Intermediate Similarity	NPC318468
0.8267	Intermediate Similarity	NPC84038
0.825	Intermediate Similarity	NPC141810
0.8235	Intermediate Similarity	NPC471818
0.8228	Intermediate Similarity	NPC472965
0.8228	Intermediate Similarity	NPC264227
0.8228	Intermediate Similarity	NPC469690
0.8228	Intermediate Similarity	NPC63649
0.8228	Intermediate Similarity	NPC469620
0.8219	Intermediate Similarity	NPC472266
0.8219	Intermediate Similarity	NPC194871
0.8214	Intermediate Similarity	NPC469631
0.8214	Intermediate Similarity	NPC226863
0.8214	Intermediate Similarity	NPC469628
0.8214	Intermediate Similarity	NPC475906
0.8214	Intermediate Similarity	NPC469653
0.8214	Intermediate Similarity	NPC471047
0.8205	Intermediate Similarity	NPC320630
0.8205	Intermediate Similarity	NPC7563
0.8205	Intermediate Similarity	NPC116177
0.8205	Intermediate Similarity	NPC474760
0.8193	Intermediate Similarity	NPC469483
0.8193	Intermediate Similarity	NPC284902
0.8171	Intermediate Similarity	NPC30486
0.8171	Intermediate Similarity	NPC476804
0.8171	Intermediate Similarity	NPC475100
0.8171	Intermediate Similarity	NPC115786
0.8158	Intermediate Similarity	NPC474705
0.8148	Intermediate Similarity	NPC85772
0.8148	Intermediate Similarity	NPC200513
0.8125	Intermediate Similarity	NPC223904
0.8125	Intermediate Similarity	NPC74673
0.8125	Intermediate Similarity	NPC302426
0.8125	Intermediate Similarity	NPC69271
0.8101	Intermediate Similarity	NPC267231
0.8095	Intermediate Similarity	NPC475703
0.8095	Intermediate Similarity	NPC160138
0.8095	Intermediate Similarity	NPC478144
0.8082	Intermediate Similarity	NPC248125
0.8077	Intermediate Similarity	NPC266159
0.8077	Intermediate Similarity	NPC472967
0.8077	Intermediate Similarity	NPC27205
0.8077	Intermediate Similarity	NPC473223
0.8072	Intermediate Similarity	NPC125290
0.8049	Intermediate Similarity	NPC40746
0.8049	Intermediate Similarity	NPC39588
0.8049	Intermediate Similarity	NPC53867
0.8049	Intermediate Similarity	NPC169575
0.8026	Intermediate Similarity	NPC186531
0.8	Intermediate Similarity	NPC471299
0.8	Intermediate Similarity	NPC617
0.8	Intermediate Similarity	NPC144511
0.8	Intermediate Similarity	NPC265574
0.8	Intermediate Similarity	NPC296522
0.8	Intermediate Similarity	NPC476805
0.8	Intermediate Similarity	NPC182550
0.8	Intermediate Similarity	NPC88877
0.8	Intermediate Similarity	NPC476591
0.7976	Intermediate Similarity	NPC475461
0.7976	Intermediate Similarity	NPC305475
0.7976	Intermediate Similarity	NPC261253
0.7976	Intermediate Similarity	NPC474045
0.7955	Intermediate Similarity	NPC476596
0.7952	Intermediate Similarity	NPC141193
0.7952	Intermediate Similarity	NPC474359
0.7952	Intermediate Similarity	NPC96259
0.7952	Intermediate Similarity	NPC82297
0.7945	Intermediate Similarity	NPC470688
0.7931	Intermediate Similarity	NPC284185
0.7922	Intermediate Similarity	NPC472956
0.7907	Intermediate Similarity	NPC295312
0.7907	Intermediate Similarity	NPC5509
0.7901	Intermediate Similarity	NPC474510
0.7901	Intermediate Similarity	NPC276356
0.7895	Intermediate Similarity	NPC469660
0.7895	Intermediate Similarity	NPC472955
0.7882	Intermediate Similarity	NPC478145
0.7875	Intermediate Similarity	NPC196653
0.7875	Intermediate Similarity	NPC192006
0.7875	Intermediate Similarity	NPC472960
0.7875	Intermediate Similarity	NPC471465
0.7867	Intermediate Similarity	NPC276290
0.7857	Intermediate Similarity	NPC21471
0.7857	Intermediate Similarity	NPC177932
0.7857	Intermediate Similarity	NPC470755
0.7857	Intermediate Similarity	NPC33570
0.7857	Intermediate Similarity	NPC255307
0.7857	Intermediate Similarity	NPC474547
0.7857	Intermediate Similarity	NPC161957
0.7857	Intermediate Similarity	NPC165162
0.7857	Intermediate Similarity	NPC261380
0.7857	Intermediate Similarity	NPC65661
0.7848	Intermediate Similarity	NPC472959
0.7841	Intermediate Similarity	NPC476597
0.7841	Intermediate Similarity	NPC469692
0.7841	Intermediate Similarity	NPC475657
0.7841	Intermediate Similarity	NPC476598
0.7841	Intermediate Similarity	NPC469645
0.7831	Intermediate Similarity	NPC473390
0.7831	Intermediate Similarity	NPC475989
0.7831	Intermediate Similarity	NPC250315
0.7831	Intermediate Similarity	NPC59097
0.7831	Intermediate Similarity	NPC170377
0.7831	Intermediate Similarity	NPC131669
0.7816	Intermediate Similarity	NPC51486
0.7816	Intermediate Similarity	NPC179394
0.7816	Intermediate Similarity	NPC144133
0.7816	Intermediate Similarity	NPC312042
0.7816	Intermediate Similarity	NPC473448
0.7816	Intermediate Similarity	NPC253144
0.7816	Intermediate Similarity	NPC62815
0.7805	Intermediate Similarity	NPC39411
0.7805	Intermediate Similarity	NPC10276
0.7805	Intermediate Similarity	NPC35089
0.7805	Intermediate Similarity	NPC24417
0.7805	Intermediate Similarity	NPC255580
0.7805	Intermediate Similarity	NPC275507
0.7805	Intermediate Similarity	NPC52861
0.7791	Intermediate Similarity	NPC475902
0.7791	Intermediate Similarity	NPC476803
0.7778	Intermediate Similarity	NPC98557
0.7778	Intermediate Similarity	NPC470239
0.7778	Intermediate Similarity	NPC89128
0.7778	Intermediate Similarity	NPC167881
0.7778	Intermediate Similarity	NPC151648
0.7778	Intermediate Similarity	NPC470244
0.7765	Intermediate Similarity	NPC220478
0.7765	Intermediate Similarity	NPC234038
0.7765	Intermediate Similarity	NPC64153
0.7765	Intermediate Similarity	NPC50637
0.7765	Intermediate Similarity	NPC150755
0.7753	Intermediate Similarity	NPC121825
0.7753	Intermediate Similarity	NPC469632
0.7753	Intermediate Similarity	NPC476267
0.7753	Intermediate Similarity	NPC470697
0.775	Intermediate Similarity	NPC15975
0.775	Intermediate Similarity	NPC10572
0.775	Intermediate Similarity	NPC180290
0.775	Intermediate Similarity	NPC195785
0.775	Intermediate Similarity	NPC471225
0.7738	Intermediate Similarity	NPC191476

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC57744 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	132
0.1-0.2	1353
0.2-0.3	3832
0.3-0.4	2589
0.4-0.5	818
0.5-0.6	308
0.6-0.7	110
0.7-0.8	18
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8148	Intermediate Similarity	NPD4752	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD1694	Approved
0.7711	Intermediate Similarity	NPD5209	Approved
0.7614	Intermediate Similarity	NPD5785	Approved
0.7467	Intermediate Similarity	NPD2685	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD5363	Approved
0.7283	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD1733	Clinical (unspecified phase)
0.7159	Intermediate Similarity	NPD5786	Approved
0.7111	Intermediate Similarity	NPD1695	Approved
0.7093	Intermediate Similarity	NPD4269	Approved
0.7093	Intermediate Similarity	NPD4270	Approved
0.7073	Intermediate Similarity	NPD8039	Approved
0.7045	Intermediate Similarity	NPD6082	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD6698	Approved
0.7033	Intermediate Similarity	NPD46	Approved
0.7024	Intermediate Similarity	NPD5784	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD7154	Phase 3
0.7011	Intermediate Similarity	NPD5362	Discontinued
0.6977	Remote Similarity	NPD5369	Approved
0.6966	Remote Similarity	NPD7146	Approved
0.6966	Remote Similarity	NPD7334	Approved
0.6966	Remote Similarity	NPD6684	Approved
0.6966	Remote Similarity	NPD5330	Approved
0.6966	Remote Similarity	NPD7521	Approved
0.6966	Remote Similarity	NPD6409	Approved
0.6897	Remote Similarity	NPD6435	Approved
0.686	Remote Similarity	NPD4252	Approved
0.6813	Remote Similarity	NPD6903	Approved
0.6813	Remote Similarity	NPD6672	Approved
0.6813	Remote Similarity	NPD5737	Approved
0.6813	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD7900	Approved
0.6809	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD5693	Phase 1
0.6733	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6702	Remote Similarity	NPD6399	Phase 3
0.6701	Remote Similarity	NPD4225	Approved
0.6699	Remote Similarity	NPD6371	Approved
0.6667	Remote Similarity	NPD5790	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6686	Approved
0.6667	Remote Similarity	NPD5368	Approved
0.6598	Remote Similarity	NPD7902	Approved
0.6531	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6531	Remote Similarity	NPD7638	Approved
0.6512	Remote Similarity	NPD4756	Discovery
0.6489	Remote Similarity	NPD7838	Discovery
0.6477	Remote Similarity	NPD4821	Approved
0.6477	Remote Similarity	NPD4819	Approved
0.6477	Remote Similarity	NPD4820	Approved
0.6477	Remote Similarity	NPD4822	Approved
0.6465	Remote Similarity	NPD7639	Approved
0.6465	Remote Similarity	NPD7640	Approved
0.6458	Remote Similarity	NPD7748	Approved
0.6444	Remote Similarity	NPD5332	Approved
0.6444	Remote Similarity	NPD5331	Approved
0.6437	Remote Similarity	NPD4271	Approved
0.6437	Remote Similarity	NPD4268	Approved
0.6408	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD4790	Discontinued
0.6392	Remote Similarity	NPD5695	Phase 3
0.6392	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6389	Remote Similarity	NPD6927	Phase 3
0.6383	Remote Similarity	NPD6673	Approved
0.6383	Remote Similarity	NPD6904	Approved
0.6383	Remote Similarity	NPD6080	Approved
0.6374	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD5696	Approved
0.6354	Remote Similarity	NPD5778	Approved
0.6354	Remote Similarity	NPD5779	Approved
0.6344	Remote Similarity	NPD3573	Approved
0.633	Remote Similarity	NPD7115	Discovery
0.6316	Remote Similarity	NPD5207	Approved
0.6316	Remote Similarity	NPD5692	Phase 3
0.6296	Remote Similarity	NPD7331	Phase 2
0.6289	Remote Similarity	NPD5282	Discontinued
0.6277	Remote Similarity	NPD5208	Approved
0.6263	Remote Similarity	NPD6083	Phase 2
0.6263	Remote Similarity	NPD6084	Phase 2
0.625	Remote Similarity	NPD7983	Approved
0.625	Remote Similarity	NPD7515	Phase 2
0.625	Remote Similarity	NPD5694	Approved
0.625	Remote Similarity	NPD6050	Approved
0.6237	Remote Similarity	NPD4249	Approved
0.6237	Remote Similarity	NPD3618	Phase 1
0.6226	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6226	Remote Similarity	NPD2067	Discontinued
0.6211	Remote Similarity	NPD5370	Suspended
0.6211	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6211	Remote Similarity	NPD6051	Approved
0.6211	Remote Similarity	NPD6101	Approved
0.6196	Remote Similarity	NPD3665	Phase 1
0.6196	Remote Similarity	NPD3133	Approved
0.6196	Remote Similarity	NPD3666	Approved
0.617	Remote Similarity	NPD4250	Approved
0.617	Remote Similarity	NPD4251	Approved
0.6168	Remote Similarity	NPD6650	Approved
0.6168	Remote Similarity	NPD6649	Approved
0.6168	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD6008	Approved
0.6154	Remote Similarity	NPD4800	Clinical (unspecified phase)
0.6132	Remote Similarity	NPD6372	Approved
0.6132	Remote Similarity	NPD6373	Approved
0.6122	Remote Similarity	NPD6001	Approved
0.6117	Remote Similarity	NPD6647	Phase 2
0.6111	Remote Similarity	NPD4695	Discontinued
0.6111	Remote Similarity	NPD6053	Discontinued
0.6098	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.6095	Remote Similarity	NPD5697	Approved
0.6087	Remote Similarity	NPD6110	Phase 1
0.6082	Remote Similarity	NPD5284	Approved
0.6082	Remote Similarity	NPD6411	Approved
0.6082	Remote Similarity	NPD5281	Approved
0.6082	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6064	Remote Similarity	NPD6422	Discontinued
0.6064	Remote Similarity	NPD5279	Phase 3
0.6064	Remote Similarity	NPD6098	Approved
0.6049	Remote Similarity	NPD5325	Clinical (unspecified phase)
0.6038	Remote Similarity	NPD6881	Approved
0.6038	Remote Similarity	NPD6011	Approved
0.6038	Remote Similarity	NPD6899	Approved
0.6022	Remote Similarity	NPD3668	Phase 3
0.6	Remote Similarity	NPD4691	Approved
0.6	Remote Similarity	NPD6402	Approved
0.6	Remote Similarity	NPD5739	Approved
0.6	Remote Similarity	NPD7839	Suspended
0.6	Remote Similarity	NPD4697	Phase 3
0.6	Remote Similarity	NPD6675	Approved
0.6	Remote Similarity	NPD7128	Approved
0.5981	Remote Similarity	NPD6014	Approved
0.5981	Remote Similarity	NPD6012	Approved
0.5981	Remote Similarity	NPD2182	Approved
0.5981	Remote Similarity	NPD6013	Approved
0.5981	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.598	Remote Similarity	NPD6648	Approved
0.5978	Remote Similarity	NPD3667	Approved
0.5976	Remote Similarity	NPD7341	Phase 2
0.5946	Remote Similarity	NPD28	Approved
0.5946	Remote Similarity	NPD29	Approved
0.5943	Remote Similarity	NPD5701	Approved
0.5926	Remote Similarity	NPD7290	Approved
0.5926	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD7102	Approved
0.5926	Remote Similarity	NPD6883	Approved
0.5922	Remote Similarity	NPD5344	Discontinued
0.5921	Remote Similarity	NPD9298	Approved
0.5918	Remote Similarity	NPD6079	Approved
0.5918	Remote Similarity	NPD7637	Suspended
0.5918	Remote Similarity	NPD8034	Phase 2
0.5918	Remote Similarity	NPD8035	Phase 2
0.59	Remote Similarity	NPD5654	Approved
0.59	Remote Similarity	NPD5210	Approved
0.59	Remote Similarity	NPD4629	Approved
0.5895	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5895	Remote Similarity	NPD4519	Discontinued
0.5895	Remote Similarity	NPD4623	Approved
0.5888	Remote Similarity	NPD7320	Approved
0.5882	Remote Similarity	NPD4137	Phase 3
0.5876	Remote Similarity	NPD5328	Approved
0.5876	Remote Similarity	NPD4753	Phase 2
0.5875	Remote Similarity	NPD4246	Clinical (unspecified phase)
0.5872	Remote Similarity	NPD6869	Approved
0.5872	Remote Similarity	NPD8130	Phase 1
0.5872	Remote Similarity	NPD6847	Approved
0.5872	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.5872	Remote Similarity	NPD6617	Approved
0.5865	Remote Similarity	NPD7632	Discontinued
0.5854	Remote Similarity	NPD3197	Phase 1
0.5851	Remote Similarity	NPD4786	Approved
0.5842	Remote Similarity	NPD5222	Approved
0.5842	Remote Similarity	NPD5349	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.5842	Remote Similarity	NPD5221	Approved
0.5842	Remote Similarity	NPD7732	Phase 3
0.5818	Remote Similarity	NPD6882	Approved
0.5818	Remote Similarity	NPD8297	Approved
0.5814	Remote Similarity	NPD4747	Approved
0.581	Remote Similarity	NPD6052	Approved
0.5806	Remote Similarity	NPD4223	Phase 3
0.5806	Remote Similarity	NPD4221	Approved
0.5795	Remote Similarity	NPD4058	Approved
0.5794	Remote Similarity	NPD6614	Approved
0.5789	Remote Similarity	NPD3172	Approved
0.5784	Remote Similarity	NPD5959	Approved
0.5784	Remote Similarity	NPD5173	Approved
0.5755	Remote Similarity	NPD5909	Discontinued
0.5753	Remote Similarity	NPD5343	Approved
0.5747	Remote Similarity	NPD5276	Approved
0.5729	Remote Similarity	NPD5690	Phase 2
0.5727	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.5727	Remote Similarity	NPD7116	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD3196	Approved
0.5714	Remote Similarity	NPD3195	Phase 2
0.5714	Remote Similarity	NPD3704	Approved
0.5714	Remote Similarity	NPD5211	Phase 2
0.5714	Remote Similarity	NPD4266	Approved
0.5714	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.5714	Remote Similarity	NPD3194	Approved
0.57	Remote Similarity	NPD4202	Approved
0.5694	Remote Similarity	NPD3174	Discontinued

Structure

NPC57744 OpenBabel07101719522D 24 25 0 0 1 0 0 0 0 0999 V2000 2.0257 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 -2.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0834 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 0.6920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 0.3090 0.0000 C 0 0 2 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 0.0859 -2.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8968 1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -1.5878 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 12 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 12 1 6 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 19 10 1 1 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	24970506
ChEMBL	CHEMBL527423
ZINC

Physicochemical Properties

Molecular Weight:	330.18
ALogP:	1.8651
MLogP:	3.22
XLogP:	2.89
# Rotatable Bonds:	5
Polar Surface Area:	60.44
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	2
# Heavy Atoms:	24

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