NPASS Natural Product

Natural Product: NPC156648

Natural Product ID:	NPC156648
Common Name:	Pulvic Acid
IUPAC Name:	(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetic acid
Synonyms:	Pulvic Acid
Molecular Formula:	C18H12O5
Standard InCHIKey:	CMFBGFRHPQTELQ-JQIJEIRASA-N
Standard InCHI:	InChI=1S/C18H12O5/c19-15-13(11-7-3-1-4-8-11)18(22)23-16(15)14(17(20)21)12-9-5-2-6-10-12/h1-10,19H,(H,20,21)/b16-14+
Canonical SMILES:	OC(=O)/C(=C1/OC(=O)C(=C1O)c1ccccc1)/c1ccccc1
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
NPO33208	aspergillus terreus gwq-48	Species	Aspergillaceae	Eukaryota				PMID[23411074]

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Cell Line	2
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT616	Cell Line	MDCK	Canis lupus familiaris	CC50	>	250	ug/ml	9871756
NPT81	Cell Line	A549	Homo sapiens	CC50	>	250	ug/ml	9871756
NPT1453	Organism	Influenza A virus (A/PR/8/34(H1N1))	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	IC50	=	29.1	ug/ml	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 NPC156648 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	157
0.1-0.2	668
0.2-0.3	1849
0.3-0.4	4407
0.4-0.5	8499
0.5-0.6	8350
0.6-0.7	6443
0.7-0.8	495
0.8-0.85	12
0.85-0.9	5
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9703	High Similarity	NPC281604
0.9307	High Similarity	NPC269644
0.9	High Similarity	NPC311091
0.9	High Similarity	NPC471033
0.8713	High Similarity	NPC270654
0.8673	High Similarity	NPC280827
0.8673	High Similarity	NPC243059
0.8532	High Similarity	NPC474314
0.8532	High Similarity	NPC158282
0.8482	Intermediate Similarity	NPC128249
0.8302	Intermediate Similarity	NPC91820
0.8302	Intermediate Similarity	NPC82426
0.8257	Intermediate Similarity	NPC474364
0.8235	Intermediate Similarity	NPC88403
0.822	Intermediate Similarity	NPC14141
0.8214	Intermediate Similarity	NPC87069
0.8182	Intermediate Similarity	NPC79543
0.8151	Intermediate Similarity	NPC288945
0.8148	Intermediate Similarity	NPC269457
0.8125	Intermediate Similarity	NPC17693
0.8036	Intermediate Similarity	NPC474689
0.7963	Intermediate Similarity	NPC160382
0.7944	Intermediate Similarity	NPC42211
0.789	Intermediate Similarity	NPC114594
0.789	Intermediate Similarity	NPC280616
0.789	Intermediate Similarity	NPC171831
0.789	Intermediate Similarity	NPC242913
0.7886	Intermediate Similarity	NPC217431
0.7885	Intermediate Similarity	NPC34243
0.7876	Intermediate Similarity	NPC234376
0.785	Intermediate Similarity	NPC118343
0.7843	Intermediate Similarity	NPC9822
0.783	Intermediate Similarity	NPC289201
0.7818	Intermediate Similarity	NPC209632
0.7807	Intermediate Similarity	NPC272524
0.7807	Intermediate Similarity	NPC265002
0.7798	Intermediate Similarity	NPC255676
0.7797	Intermediate Similarity	NPC264976
0.7787	Intermediate Similarity	NPC79608
0.7778	Intermediate Similarity	NPC285773
0.7767	Intermediate Similarity	NPC213156
0.7767	Intermediate Similarity	NPC240108
0.7759	Intermediate Similarity	NPC51345
0.7759	Intermediate Similarity	NPC296526
0.7757	Intermediate Similarity	NPC135951
0.7757	Intermediate Similarity	NPC210529
0.7757	Intermediate Similarity	NPC175852
0.7757	Intermediate Similarity	NPC154517
0.7757	Intermediate Similarity	NPC160548
0.7748	Intermediate Similarity	NPC37622
0.7748	Intermediate Similarity	NPC30594
0.7748	Intermediate Similarity	NPC477251
0.7748	Intermediate Similarity	NPC37115
0.7748	Intermediate Similarity	NPC51174
0.7748	Intermediate Similarity	NPC136962
0.7739	Intermediate Similarity	NPC474363
0.7714	Intermediate Similarity	NPC261181
0.7705	Intermediate Similarity	NPC246166
0.7685	Intermediate Similarity	NPC325497
0.7685	Intermediate Similarity	NPC474308
0.7685	Intermediate Similarity	NPC80115
0.7679	Intermediate Similarity	NPC277788
0.7679	Intermediate Similarity	NPC20485
0.7658	Intermediate Similarity	NPC105899
0.7647	Intermediate Similarity	NPC96625
0.7642	Intermediate Similarity	NPC476033
0.7636	Intermediate Similarity	NPC329556
0.7636	Intermediate Similarity	NPC474365
0.7636	Intermediate Similarity	NPC301943
0.7632	Intermediate Similarity	NPC183700
0.7632	Intermediate Similarity	NPC476003
0.7632	Intermediate Similarity	NPC260818
0.7624	Intermediate Similarity	NPC123476
0.7623	Intermediate Similarity	NPC471466
0.7623	Intermediate Similarity	NPC473942
0.7619	Intermediate Similarity	NPC17567
0.7611	Intermediate Similarity	NPC85493
0.7611	Intermediate Similarity	NPC40178
0.7611	Intermediate Similarity	NPC99846
0.7611	Intermediate Similarity	NPC269023
0.76	Intermediate Similarity	NPC79332
0.7596	Intermediate Similarity	NPC62765
0.7593	Intermediate Similarity	NPC229242
0.7589	Intermediate Similarity	NPC475203
0.7589	Intermediate Similarity	NPC472315
0.7589	Intermediate Similarity	NPC474376
0.7589	Intermediate Similarity	NPC472316
0.7589	Intermediate Similarity	NPC70843
0.7586	Intermediate Similarity	NPC172525
0.7586	Intermediate Similarity	NPC308744
0.7586	Intermediate Similarity	NPC153053
0.7578	Intermediate Similarity	NPC202743
0.757	Intermediate Similarity	NPC61944
0.7565	Intermediate Similarity	NPC321852
0.7545	Intermediate Similarity	NPC25458
0.7545	Intermediate Similarity	NPC284477
0.7524	Intermediate Similarity	NPC110704
0.7524	Intermediate Similarity	NPC119631
0.7524	Intermediate Similarity	NPC317645
0.7524	Intermediate Similarity	NPC472319
0.7523	Intermediate Similarity	NPC217621
0.7522	Intermediate Similarity	NPC47536
0.7521	Intermediate Similarity	NPC210092
0.7521	Intermediate Similarity	NPC474685
0.7519	Intermediate Similarity	NPC248150
0.75	Intermediate Similarity	NPC173034
0.75	Intermediate Similarity	NPC276775
0.75	Intermediate Similarity	NPC92754
0.75	Intermediate Similarity	NPC474176
0.75	Intermediate Similarity	NPC204784
0.75	Intermediate Similarity	NPC103048
0.75	Intermediate Similarity	NPC249912
0.75	Intermediate Similarity	NPC253423
0.75	Intermediate Similarity	NPC236405
0.748	Intermediate Similarity	NPC212541
0.7479	Intermediate Similarity	NPC76308
0.7479	Intermediate Similarity	NPC469574
0.7479	Intermediate Similarity	NPC325295
0.7478	Intermediate Similarity	NPC474157
0.7478	Intermediate Similarity	NPC21162
0.7477	Intermediate Similarity	NPC172925
0.7477	Intermediate Similarity	NPC130398
0.7477	Intermediate Similarity	NPC60679
0.7476	Intermediate Similarity	NPC322387
0.7475	Intermediate Similarity	NPC127343
0.746	Intermediate Similarity	NPC301857
0.746	Intermediate Similarity	NPC2596
0.7456	Intermediate Similarity	NPC318327
0.7456	Intermediate Similarity	NPC475282
0.7456	Intermediate Similarity	NPC469636
0.7456	Intermediate Similarity	NPC206341
0.7455	Intermediate Similarity	NPC282895
0.7455	Intermediate Similarity	NPC52472
0.7453	Intermediate Similarity	NPC77273
0.7451	Intermediate Similarity	NPC294134
0.7451	Intermediate Similarity	NPC95965
0.744	Intermediate Similarity	NPC114096
0.744	Intermediate Similarity	NPC474476
0.7438	Intermediate Similarity	NPC233282
0.7438	Intermediate Similarity	NPC474874
0.7434	Intermediate Similarity	NPC69332
0.7434	Intermediate Similarity	NPC95178
0.7434	Intermediate Similarity	NPC29989
0.7431	Intermediate Similarity	NPC179411
0.7431	Intermediate Similarity	NPC225060
0.7431	Intermediate Similarity	NPC35448
0.7431	Intermediate Similarity	NPC78701
0.7426	Intermediate Similarity	NPC288903
0.7426	Intermediate Similarity	NPC44830
0.7424	Intermediate Similarity	NPC86087
0.7422	Intermediate Similarity	NPC318799
0.7422	Intermediate Similarity	NPC108553
0.7422	Intermediate Similarity	NPC198388
0.7419	Intermediate Similarity	NPC89630
0.7419	Intermediate Similarity	NPC295664
0.7417	Intermediate Similarity	NPC293424
0.7414	Intermediate Similarity	NPC477250
0.7414	Intermediate Similarity	NPC185840
0.7411	Intermediate Similarity	NPC249067
0.7407	Intermediate Similarity	NPC12695
0.7405	Intermediate Similarity	NPC90431
0.7404	Intermediate Similarity	NPC329064
0.7404	Intermediate Similarity	NPC477704
0.7404	Intermediate Similarity	NPC477693
0.7402	Intermediate Similarity	NPC241354
0.7395	Intermediate Similarity	NPC19290
0.7395	Intermediate Similarity	NPC190298
0.7391	Intermediate Similarity	NPC88141
0.7391	Intermediate Similarity	NPC174099
0.7391	Intermediate Similarity	NPC234639
0.7387	Intermediate Similarity	NPC45613
0.7387	Intermediate Similarity	NPC304873
0.7383	Intermediate Similarity	NPC23453
0.7381	Intermediate Similarity	NPC148026
0.7373	Intermediate Similarity	NPC469509
0.7373	Intermediate Similarity	NPC306740
0.7373	Intermediate Similarity	NPC474408
0.7368	Intermediate Similarity	NPC475465
0.7368	Intermediate Similarity	NPC472314
0.7368	Intermediate Similarity	NPC141523
0.7368	Intermediate Similarity	NPC260952
0.7364	Intermediate Similarity	NPC18074
0.7364	Intermediate Similarity	NPC245561
0.7364	Intermediate Similarity	NPC203925
0.7364	Intermediate Similarity	NPC228435
0.7364	Intermediate Similarity	NPC25581
0.7364	Intermediate Similarity	NPC61
0.7364	Intermediate Similarity	NPC146351
0.7364	Intermediate Similarity	NPC5419
0.736	Intermediate Similarity	NPC4164
0.7355	Intermediate Similarity	NPC141791
0.7355	Intermediate Similarity	NPC263386
0.735	Intermediate Similarity	NPC128368
0.735	Intermediate Similarity	NPC48525
0.735	Intermediate Similarity	NPC161611
0.7345	Intermediate Similarity	NPC127676
0.7345	Intermediate Similarity	NPC13495
0.7345	Intermediate Similarity	NPC472919
0.7344	Intermediate Similarity	NPC289415
0.7344	Intermediate Similarity	NPC30390

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC156648 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	159
0.1-0.2	670
0.2-0.3	1097
0.3-0.4	2422
0.4-0.5	2758
0.5-0.6	1486
0.6-0.7	480
0.7-0.8	86
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8468	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.8396	Intermediate Similarity	NPD5909	Discontinued
0.8182	Intermediate Similarity	NPD2067	Discontinued
0.785	Intermediate Similarity	NPD1238	Approved
0.7778	Intermediate Similarity	NPD9491	Approved
0.7757	Intermediate Similarity	NPD9495	Approved
0.7714	Intermediate Similarity	NPD1202	Approved
0.7692	Intermediate Similarity	NPD1239	Approved
0.7685	Intermediate Similarity	NPD2066	Phase 3
0.7672	Intermediate Similarity	NPD2629	Approved
0.7636	Intermediate Similarity	NPD1930	Approved
0.7636	Intermediate Similarity	NPD1931	Clinical (unspecified phase)
0.7636	Intermediate Similarity	NPD1929	Approved
0.7596	Intermediate Similarity	NPD9258	Approved
0.7596	Intermediate Similarity	NPD9256	Approved
0.7547	Intermediate Similarity	NPD5122	Clinical (unspecified phase)
0.7542	Intermediate Similarity	NPD694	Clinical (unspecified phase)
0.754	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4105	Approved
0.75	Intermediate Similarity	NPD4102	Approved
0.7479	Intermediate Similarity	NPD2347	Approved
0.7477	Intermediate Similarity	NPD6647	Phase 2
0.7477	Intermediate Similarity	NPD688	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7417	Intermediate Similarity	NPD1894	Discontinued
0.7414	Intermediate Similarity	NPD969	Suspended
0.7411	Intermediate Similarity	NPD1237	Approved
0.7407	Intermediate Similarity	NPD1989	Approved
0.74	Intermediate Similarity	NPD226	Approved
0.7398	Intermediate Similarity	NPD1481	Phase 2
0.7387	Intermediate Similarity	NPD1932	Approved
0.7377	Intermediate Similarity	NPD4106	Approved
0.7377	Intermediate Similarity	NPD4136	Approved
0.7377	Intermediate Similarity	NPD4135	Approved
0.7374	Intermediate Similarity	NPD9490	Approved
0.7364	Intermediate Similarity	NPD7798	Approved
0.736	Intermediate Similarity	NPD1203	Approved
0.736	Intermediate Similarity	NPD2797	Approved
0.7344	Intermediate Similarity	NPD3764	Approved
0.7339	Intermediate Similarity	NPD1564	Approved
0.7339	Intermediate Similarity	NPD1565	Approved
0.7339	Intermediate Similarity	NPD1566	Phase 3
0.7333	Intermediate Similarity	NPD800	Approved
0.7328	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD1535	Discovery
0.7315	Intermediate Similarity	NPD1693	Approved
0.7304	Intermediate Similarity	NPD2182	Approved
0.7302	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD5306	Approved
0.7295	Intermediate Similarity	NPD5305	Approved
0.7264	Intermediate Similarity	NPD1090	Approved
0.7264	Intermediate Similarity	NPD1089	Approved
0.7264	Intermediate Similarity	NPD1086	Approved
0.7257	Intermediate Similarity	NPD164	Approved
0.7227	Intermediate Similarity	NPD5951	Approved
0.7212	Intermediate Similarity	NPD9257	Approved
0.7212	Intermediate Similarity	NPD9259	Approved
0.7209	Intermediate Similarity	NPD6798	Discontinued
0.7209	Intermediate Similarity	NPD3268	Approved
0.7209	Intermediate Similarity	NPD2313	Discontinued
0.7193	Intermediate Similarity	NPD5048	Discontinued
0.7177	Intermediate Similarity	NPD4807	Approved
0.7177	Intermediate Similarity	NPD4806	Approved
0.7176	Intermediate Similarity	NPD6355	Discontinued
0.717	Intermediate Similarity	NPD689	Discontinued
0.7167	Intermediate Similarity	NPD4198	Discontinued
0.7154	Intermediate Similarity	NPD4062	Phase 3
0.7154	Intermediate Similarity	NPD6233	Phase 2
0.7143	Intermediate Similarity	NPD4793	Discontinued
0.7143	Intermediate Similarity	NPD1282	Approved
0.7143	Intermediate Similarity	NPD3225	Approved
0.7132	Intermediate Similarity	NPD4628	Phase 3
0.7131	Intermediate Similarity	NPD9545	Approved
0.713	Intermediate Similarity	NPD1088	Approved
0.712	Intermediate Similarity	NPD9717	Approved
0.712	Intermediate Similarity	NPD1608	Approved
0.7109	Intermediate Similarity	NPD5204	Approved
0.7107	Intermediate Similarity	NPD9493	Approved
0.7101	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD225	Approved
0.71	Intermediate Similarity	NPD227	Approved
0.7091	Intermediate Similarity	NPD5206	Clinical (unspecified phase)
0.7064	Intermediate Similarity	NPD1563	Approved
0.704	Intermediate Similarity	NPD6287	Discontinued
0.7018	Intermediate Similarity	NPD5738	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD4308	Phase 3
0.7009	Intermediate Similarity	NPD5346	Phase 2
0.7009	Intermediate Similarity	NPD5347	Phase 2
0.7009	Intermediate Similarity	NPD2329	Discontinued
0.6981	Remote Similarity	NPD1087	Approved
0.6975	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6964	Remote Similarity	NPD5926	Approved
0.696	Remote Similarity	NPD3847	Discontinued
0.6957	Remote Similarity	NPD2354	Approved
0.6953	Remote Similarity	NPD2159	Approved
0.6953	Remote Similarity	NPD2627	Approved
0.6953	Remote Similarity	NPD2628	Approved
0.6953	Remote Similarity	NPD2160	Approved
0.6953	Remote Similarity	NPD3266	Approved
0.6953	Remote Similarity	NPD2625	Approved
0.6953	Remote Similarity	NPD3267	Approved
0.6953	Remote Similarity	NPD2626	Approved
0.6947	Remote Similarity	NPD4621	Approved
0.6947	Remote Similarity	NPD4619	Approved
0.6923	Remote Similarity	NPD9264	Approved
0.6923	Remote Similarity	NPD9263	Approved
0.6923	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4620	Approved
0.6923	Remote Similarity	NPD5201	Approved
0.6923	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3971	Phase 1
0.6923	Remote Similarity	NPD4617	Approved
0.6923	Remote Similarity	NPD9267	Approved
0.6923	Remote Similarity	NPD6832	Phase 2
0.6923	Remote Similarity	NPD5203	Approved
0.6899	Remote Similarity	NPD5647	Approved
0.6899	Remote Similarity	NPD2788	Approved
0.6889	Remote Similarity	NPD2799	Discontinued
0.688	Remote Similarity	NPD17	Approved
0.688	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.688	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD1283	Approved
0.687	Remote Similarity	NPD7008	Discontinued
0.687	Remote Similarity	NPD7095	Approved
0.6864	Remote Similarity	NPD9266	Approved
0.6864	Remote Similarity	NPD74	Approved
0.686	Remote Similarity	NPD1241	Discontinued
0.6842	Remote Similarity	NPD6309	Approved
0.6842	Remote Similarity	NPD6311	Approved
0.6842	Remote Similarity	NPD6310	Approved
0.6838	Remote Similarity	NPD2935	Discontinued
0.6818	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.68	Remote Similarity	NPD9716	Approved
0.6797	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6796	Remote Similarity	NPD1507	Clinical (unspecified phase)
0.6794	Remote Similarity	NPD2614	Approved
0.6791	Remote Similarity	NPD447	Suspended
0.6791	Remote Similarity	NPD1933	Approved
0.6789	Remote Similarity	NPD3673	Approved
0.6789	Remote Similarity	NPD3672	Approved
0.6788	Remote Similarity	NPD2346	Discontinued
0.6788	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.678	Remote Similarity	NPD1358	Approved
0.6777	Remote Similarity	NPD5535	Approved
0.6777	Remote Similarity	NPD5277	Phase 2
0.6769	Remote Similarity	NPD2798	Approved
0.6763	Remote Similarity	NPD3750	Approved
0.6761	Remote Similarity	NPD5049	Phase 3
0.6744	Remote Similarity	NPD5667	Approved
0.6739	Remote Similarity	NPD5958	Discontinued
0.6738	Remote Similarity	NPD6799	Approved
0.6731	Remote Similarity	NPD942	Approved
0.6721	Remote Similarity	NPD2652	Approved
0.6721	Remote Similarity	NPD2650	Approved
0.6718	Remote Similarity	NPD3664	Approved
0.6718	Remote Similarity	NPD3662	Phase 3
0.6718	Remote Similarity	NPD3661	Approved
0.6718	Remote Similarity	NPD3663	Approved
0.6716	Remote Similarity	NPD5119	Approved
0.6716	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6716	Remote Similarity	NPD5121	Approved
0.6716	Remote Similarity	NPD4307	Phase 2
0.6716	Remote Similarity	NPD5120	Approved
0.6715	Remote Similarity	NPD1551	Phase 2
0.6715	Remote Similarity	NPD1501	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD6190	Approved
0.6713	Remote Similarity	NPD5403	Approved
0.6696	Remote Similarity	NPD9260	Approved
0.6696	Remote Similarity	NPD2933	Approved
0.6696	Remote Similarity	NPD2934	Approved
0.6694	Remote Similarity	NPD9508	Approved
0.6692	Remote Similarity	NPD1164	Approved
0.669	Remote Similarity	NPD5401	Approved
0.6667	Remote Similarity	NPD5240	Approved
0.6667	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD4233	Approved
0.6667	Remote Similarity	NPD1246	Approved
0.6667	Remote Similarity	NPD5236	Approved
0.6667	Remote Similarity	NPD5239	Approved
0.6667	Remote Similarity	NPD5235	Approved
0.6667	Remote Similarity	NPD5237	Approved
0.6667	Remote Similarity	NPD2353	Approved
0.6667	Remote Similarity	NPD9281	Approved
0.6667	Remote Similarity	NPD4234	Approved
0.6667	Remote Similarity	NPD4340	Discontinued
0.6667	Remote Similarity	NPD7440	Discontinued
0.6643	Remote Similarity	NPD8166	Discontinued
0.6642	Remote Similarity	NPD7033	Discontinued
0.6641	Remote Similarity	NPD1281	Approved
0.6641	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD2860	Approved
0.6637	Remote Similarity	NPD2859	Approved
0.6621	Remote Similarity	NPD3455	Phase 2
0.6619	Remote Similarity	NPD4534	Discontinued
0.6618	Remote Similarity	NPD3528	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD6653	Approved
0.6615	Remote Similarity	NPD1888	Phase 1
0.6615	Remote Similarity	NPD1876	Approved
0.6614	Remote Similarity	NPD2345	Approved

Structure

NPC156648 OpenBabel07101719512D 23 25 0 0 0 0 0 0 0 0999 V2000 -4.4617 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 -0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4727 0.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 2.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8366 2.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 2.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -1.1215 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 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	54682513
ChEMBL	CHEMBL2337337
ZINC

Physicochemical Properties

Molecular Weight:	308.07
ALogP:	-0.7964
MLogP:	2.89
XLogP:	6.663
# Rotatable Bonds:	5
Polar Surface Area:	83.83
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	23

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