NPASS Natural Product

Natural Product: NPC222036

Natural Product ID:	NPC222036
Common Name:	2-[(2R)-7-Oxo-2,3-Dihydrofuro[3,2-G]Chromen-2-Yl]Propan-2-Yl (E)-2-Methylbut-2-Enoate
IUPAC Name:	2-[(2R)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate
Synonyms:
Molecular Formula:	C19H20O5
Standard InCHIKey:	HHNCJFKRMZDTHW-QHQPLOKBSA-N
Standard InCHI:	InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m1/s1
Canonical SMILES:	C/C=C(/C(=O)OC([C@@H]1Oc2c(C1)cc1c(c2)oc(=O)cc1)(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
NPO15394	Angelica decursiva	Species	Apiaceae	Eukaryota				TM-MC*
NPO4340	Peucedanum praeruptorum	Species	Apiaceae	Eukaryota				TM-MC*

Biological Activity

Activity Type	# Activity
Potency	9

Activity Type	# Activity
Cell Line	1
Individual Protein	5
Organism	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Value	Unit	Reference
NPT61	Individual Protein	Beta-glucocerebrosidase	Homo sapiens	Potency	17782.8	nM	PubChem BioAssay data set
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	414.7	nM	PubChem BioAssay data set
NPT65	Cell Line	HepG2	Homo sapiens	Potency	35481.3	nM	PubChem BioAssay data set
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	79432.8	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	20596.2	nM	PubChem BioAssay data set
NPT101	Individual Protein	Glucagon-like peptide 1 receptor	Homo sapiens	Potency	28183.8	nM	PubChem BioAssay data set
NPT11	Individual Protein	Guanine nucleotide-binding protein G(s), subunit alpha	Homo sapiens	Potency	35481.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	16360.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	23109.3	nM	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 NPC222036 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	221
0.1-0.2	1073
0.2-0.3	2185
0.3-0.4	5710
0.4-0.5	7632
0.5-0.6	2975
0.6-0.7	5453
0.7-0.8	5119
0.8-0.85	324
0.85-0.9	107
0.9-0.95	60
0.95-1	30

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC7526
0.9921	High Similarity	NPC307412
0.9921	High Similarity	NPC55149
0.9921	High Similarity	NPC14248
0.9767	High Similarity	NPC283331
0.9612	High Similarity	NPC287182
0.9612	High Similarity	NPC195343
0.9612	High Similarity	NPC166672
0.9612	High Similarity	NPC18804
0.9612	High Similarity	NPC164269
0.9612	High Similarity	NPC74655
0.9612	High Similarity	NPC127888
0.9612	High Similarity	NPC198381
0.9612	High Similarity	NPC319859
0.9612	High Similarity	NPC47163
0.9612	High Similarity	NPC84894
0.9612	High Similarity	NPC260265
0.9612	High Similarity	NPC267412
0.9612	High Similarity	NPC100986
0.9538	High Similarity	NPC281241
0.9538	High Similarity	NPC86892
0.9538	High Similarity	NPC471625
0.9538	High Similarity	NPC471909
0.9538	High Similarity	NPC472424
0.9535	High Similarity	NPC133956
0.9535	High Similarity	NPC471910
0.9535	High Similarity	NPC167111
0.9535	High Similarity	NPC296624
0.9535	High Similarity	NPC318400
0.9535	High Similarity	NPC207002
0.9466	High Similarity	NPC476455
0.9466	High Similarity	NPC128529
0.9466	High Similarity	NPC471630
0.9466	High Similarity	NPC55615
0.9466	High Similarity	NPC160727
0.9466	High Similarity	NPC283019
0.9466	High Similarity	NPC149320
0.9466	High Similarity	NPC177281
0.9462	High Similarity	NPC253574
0.9462	High Similarity	NPC98179
0.9444	High Similarity	NPC234109
0.9444	High Similarity	NPC188327
0.9394	High Similarity	NPC155963
0.9389	High Similarity	NPC469675
0.9389	High Similarity	NPC33986
0.9323	High Similarity	NPC151946
0.9323	High Similarity	NPC211110
0.9302	High Similarity	NPC80170
0.9297	High Similarity	NPC472519
0.9286	High Similarity	NPC201667
0.9286	High Similarity	NPC73413
0.9254	High Similarity	NPC312881
0.9242	High Similarity	NPC472525
0.9225	High Similarity	NPC168710
0.9213	High Similarity	NPC471828
0.9213	High Similarity	NPC471827
0.9206	High Similarity	NPC472518
0.9206	High Similarity	NPC273772
0.9206	High Similarity	NPC109675
0.9185	High Similarity	NPC152771
0.9185	High Similarity	NPC195357
0.9185	High Similarity	NPC287286
0.9179	High Similarity	NPC279573
0.9173	High Similarity	NPC38099
0.9173	High Similarity	NPC26954
0.9167	High Similarity	NPC62366
0.9167	High Similarity	NPC213173
0.9167	High Similarity	NPC224475
0.9167	High Similarity	NPC180716
0.9147	High Similarity	NPC185066
0.9147	High Similarity	NPC199204
0.9141	High Similarity	NPC471826
0.9134	High Similarity	NPC27671
0.9127	High Similarity	NPC96286
0.9127	High Similarity	NPC248429
0.9104	High Similarity	NPC232246
0.9104	High Similarity	NPC14697
0.9104	High Similarity	NPC153818
0.9091	High Similarity	NPC163557
0.9091	High Similarity	NPC31849
0.9084	High Similarity	NPC29734
0.9051	High Similarity	NPC183646
0.9051	High Similarity	NPC119640
0.903	High Similarity	NPC188380
0.903	High Similarity	NPC224543
0.903	High Similarity	NPC78746
0.9023	High Similarity	NPC204353
0.9023	High Similarity	NPC326600
0.9023	High Similarity	NPC50896
0.9008	High Similarity	NPC113098
0.8986	High Similarity	NPC476457
0.8984	High Similarity	NPC111347
0.8984	High Similarity	NPC291899
0.8968	High Similarity	NPC235190
0.8968	High Similarity	NPC163200
0.8968	High Similarity	NPC180006
0.8963	High Similarity	NPC184861
0.8963	High Similarity	NPC225106
0.8963	High Similarity	NPC471069
0.8963	High Similarity	NPC294456
0.8963	High Similarity	NPC471068
0.8963	High Similarity	NPC281014
0.8963	High Similarity	NPC212124
0.8947	High Similarity	NPC469449
0.8939	High Similarity	NPC272650
0.8939	High Similarity	NPC267336
0.8929	High Similarity	NPC296377
0.8921	High Similarity	NPC76657
0.8906	High Similarity	NPC290605
0.8906	High Similarity	NPC173350
0.8906	High Similarity	NPC154176
0.8906	High Similarity	NPC50720
0.8898	High Similarity	NPC144418
0.8897	High Similarity	NPC471072
0.8897	High Similarity	NPC471071
0.8897	High Similarity	NPC471070
0.8872	High Similarity	NPC469956
0.8872	High Similarity	NPC194277
0.8865	High Similarity	NPC169510
0.8864	High Similarity	NPC19242
0.8855	High Similarity	NPC293642
0.8855	High Similarity	NPC139595
0.8855	High Similarity	NPC157212
0.8855	High Similarity	NPC60704
0.8849	High Similarity	NPC471824
0.8828	High Similarity	NPC13007
0.8828	High Similarity	NPC257188
0.8828	High Similarity	NPC150214
0.881	High Similarity	NPC281356
0.881	High Similarity	NPC298796
0.8806	High Similarity	NPC469955
0.8806	High Similarity	NPC55147
0.8806	High Similarity	NPC469952
0.8806	High Similarity	NPC54503
0.8786	High Similarity	NPC469701
0.8786	High Similarity	NPC85624
0.8779	High Similarity	NPC243688
0.8779	High Similarity	NPC289316
0.8779	High Similarity	NPC121740
0.8779	High Similarity	NPC258567
0.8779	High Similarity	NPC224774
0.876	High Similarity	NPC315807
0.8759	High Similarity	NPC270256
0.8731	High Similarity	NPC175159
0.8731	High Similarity	NPC123954
0.8731	High Similarity	NPC19157
0.873	High Similarity	NPC152306
0.873	High Similarity	NPC96705
0.873	High Similarity	NPC265547
0.8712	High Similarity	NPC469453
0.8702	High Similarity	NPC163248
0.8702	High Similarity	NPC101894
0.8686	High Similarity	NPC306365
0.8676	High Similarity	NPC229128
0.8667	High Similarity	NPC241341
0.8667	High Similarity	NPC233018
0.8667	High Similarity	NPC472522
0.8667	High Similarity	NPC36437
0.8662	High Similarity	NPC471764
0.8662	High Similarity	NPC87950
0.8657	High Similarity	NPC472517
0.8633	High Similarity	NPC472523
0.8626	High Similarity	NPC202594
0.8626	High Similarity	NPC244495
0.8626	High Similarity	NPC232692
0.8626	High Similarity	NPC93219
0.8623	High Similarity	NPC307883
0.8615	High Similarity	NPC143725
0.8613	High Similarity	NPC167517
0.8603	High Similarity	NPC131950
0.8593	High Similarity	NPC319969
0.8593	High Similarity	NPC137669
0.8592	High Similarity	NPC171656
0.8582	High Similarity	NPC471763
0.8582	High Similarity	NPC32463
0.8571	High Similarity	NPC128633
0.8571	High Similarity	NPC470856
0.8561	High Similarity	NPC127604
0.8551	High Similarity	NPC131198
0.854	High Similarity	NPC61499
0.8529	High Similarity	NPC469965
0.8529	High Similarity	NPC241165
0.8529	High Similarity	NPC2363
0.8529	High Similarity	NPC1220
0.8529	High Similarity	NPC142563
0.8529	High Similarity	NPC205797
0.8529	High Similarity	NPC291551
0.8529	High Similarity	NPC141822
0.8511	High Similarity	NPC229916
0.8503	High Similarity	NPC131725
0.85	High Similarity	NPC476442
0.85	High Similarity	NPC138149
0.85	High Similarity	NPC279851
0.85	High Similarity	NPC215512
0.85	High Similarity	NPC155552
0.85	High Similarity	NPC472520
0.85	High Similarity	NPC300611
0.8493	Intermediate Similarity	NPC470264
0.8489	Intermediate Similarity	NPC278600
0.8489	Intermediate Similarity	NPC144512

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC222036 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	224
0.1-0.2	850
0.2-0.3	1488
0.3-0.4	2596
0.4-0.5	2050
0.5-0.6	1159
0.6-0.7	615
0.7-0.8	167
0.8-0.85	10
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8529	High Similarity	NPD5124	Phase 1
0.8529	High Similarity	NPD5123	Clinical (unspecified phase)
0.8321	Intermediate Similarity	NPD422	Phase 1
0.8162	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.8112	Intermediate Similarity	NPD1652	Phase 2
0.8112	Intermediate Similarity	NPD1243	Approved
0.8095	Intermediate Similarity	NPD920	Approved
0.8069	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8043	Intermediate Similarity	NPD1296	Phase 2
0.8043	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8028	Intermediate Similarity	NPD2796	Approved
0.8013	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7959	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7958	Intermediate Similarity	NPD3748	Approved
0.7947	Intermediate Similarity	NPD6801	Discontinued
0.7922	Intermediate Similarity	NPD919	Approved
0.7891	Intermediate Similarity	NPD6799	Approved
0.7857	Intermediate Similarity	NPD1358	Approved
0.7857	Intermediate Similarity	NPD7075	Discontinued
0.782	Intermediate Similarity	NPD5691	Approved
0.7793	Intermediate Similarity	NPD2424	Discontinued
0.7786	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD9697	Approved
0.7697	Intermediate Similarity	NPD6599	Discontinued
0.7692	Intermediate Similarity	NPD5535	Approved
0.7687	Intermediate Similarity	NPD3750	Approved
0.7687	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD1653	Approved
0.7667	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7662	Intermediate Similarity	NPD7819	Suspended
0.7647	Intermediate Similarity	NPD7411	Suspended
0.7643	Intermediate Similarity	NPD4908	Phase 1
0.7643	Intermediate Similarity	NPD5494	Approved
0.7643	Intermediate Similarity	NPD6832	Phase 2
0.7638	Intermediate Similarity	NPD3134	Approved
0.7622	Intermediate Similarity	NPD6355	Discontinued
0.7619	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD5403	Approved
0.7612	Intermediate Similarity	NPD1548	Phase 1
0.76	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD5401	Approved
0.7586	Intermediate Similarity	NPD7033	Discontinued
0.7582	Intermediate Similarity	NPD4380	Phase 2
0.7568	Intermediate Similarity	NPD4628	Phase 3
0.7564	Intermediate Similarity	NPD7768	Phase 2
0.7554	Intermediate Similarity	NPD3266	Approved
0.7554	Intermediate Similarity	NPD3267	Approved
0.7554	Intermediate Similarity	NPD2797	Approved
0.7552	Intermediate Similarity	NPD4307	Phase 2
0.7552	Intermediate Similarity	NPD4060	Phase 1
0.7535	Intermediate Similarity	NPD6798	Discontinued
0.7531	Intermediate Similarity	NPD5844	Phase 1
0.7518	Intermediate Similarity	NPD1610	Phase 2
0.7516	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3817	Phase 2
0.75	Intermediate Similarity	NPD4626	Approved
0.75	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6004	Phase 3
0.7483	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6002	Phase 3
0.7483	Intermediate Similarity	NPD6005	Phase 3
0.7482	Intermediate Similarity	NPD8651	Approved
0.7482	Intermediate Similarity	NPD3225	Approved
0.7452	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD3496	Discontinued
0.7436	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD1549	Phase 2
0.7431	Intermediate Similarity	NPD1613	Approved
0.7431	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD1551	Phase 2
0.7413	Intermediate Similarity	NPD3268	Approved
0.7405	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD7097	Phase 1
0.7394	Intermediate Similarity	NPD6559	Discontinued
0.7389	Intermediate Similarity	NPD5402	Approved
0.7385	Intermediate Similarity	NPD2684	Approved
0.7379	Intermediate Similarity	NPD4340	Discontinued
0.7375	Intermediate Similarity	NPD1247	Approved
0.7368	Intermediate Similarity	NPD1241	Discontinued
0.7368	Intermediate Similarity	NPD2533	Approved
0.7368	Intermediate Similarity	NPD2534	Approved
0.7368	Intermediate Similarity	NPD2532	Approved
0.7365	Intermediate Similarity	NPD5762	Approved
0.7365	Intermediate Similarity	NPD5763	Approved
0.7365	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD4308	Phase 3
0.7347	Intermediate Similarity	NPD1510	Phase 2
0.7347	Intermediate Similarity	NPD2799	Discontinued
0.7343	Intermediate Similarity	NPD3027	Phase 3
0.7343	Intermediate Similarity	NPD4625	Phase 3
0.7342	Intermediate Similarity	NPD3882	Suspended
0.7333	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD2935	Discontinued
0.7296	Intermediate Similarity	NPD3749	Approved
0.7293	Intermediate Similarity	NPD7843	Approved
0.7292	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD4749	Approved
0.7278	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7199	Phase 2
0.7266	Intermediate Similarity	NPD1611	Approved
0.7266	Intermediate Similarity	NPD1091	Approved
0.7261	Intermediate Similarity	NPD37	Approved
0.7261	Intermediate Similarity	NPD1934	Approved
0.726	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD7157	Approved
0.7256	Intermediate Similarity	NPD3818	Discontinued
0.7254	Intermediate Similarity	NPD1019	Discontinued
0.7246	Intermediate Similarity	NPD1778	Approved
0.7241	Intermediate Similarity	NPD6233	Phase 2
0.7239	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD5058	Phase 3
0.7237	Intermediate Similarity	NPD6667	Approved
0.7237	Intermediate Similarity	NPD6666	Approved
0.7233	Intermediate Similarity	NPD4967	Phase 2
0.7233	Intermediate Similarity	NPD4966	Approved
0.7233	Intermediate Similarity	NPD4965	Approved
0.7222	Intermediate Similarity	NPD7229	Phase 3
0.7222	Intermediate Similarity	NPD7095	Approved
0.7219	Intermediate Similarity	NPD7466	Approved
0.7214	Intermediate Similarity	NPD9717	Approved
0.7212	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD3018	Phase 2
0.7192	Intermediate Similarity	NPD1240	Approved
0.7192	Intermediate Similarity	NPD4140	Approved
0.719	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD2438	Suspended
0.7178	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD290	Approved
0.7172	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD2313	Discontinued
0.7171	Intermediate Similarity	NPD3887	Approved
0.7153	Intermediate Similarity	NPD5536	Phase 2
0.7152	Intermediate Similarity	NPD2800	Approved
0.7143	Intermediate Similarity	NPD7549	Discontinued
0.7143	Intermediate Similarity	NPD3705	Approved
0.7143	Intermediate Similarity	NPD6234	Discontinued
0.7143	Intermediate Similarity	NPD1933	Approved
0.7133	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD4062	Phase 3
0.7122	Intermediate Similarity	NPD17	Approved
0.7114	Intermediate Similarity	NPD5588	Approved
0.7107	Intermediate Similarity	NPD8455	Phase 2
0.7107	Intermediate Similarity	NPD2801	Approved
0.7095	Intermediate Similarity	NPD1607	Approved
0.7092	Intermediate Similarity	NPD2981	Phase 2
0.7083	Intermediate Similarity	NPD2861	Phase 2
0.7078	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD3926	Phase 2
0.7067	Intermediate Similarity	NPD4476	Approved
0.7067	Intermediate Similarity	NPD6032	Approved
0.7067	Intermediate Similarity	NPD4477	Approved
0.7063	Intermediate Similarity	NPD1203	Approved
0.7063	Intermediate Similarity	NPD4288	Approved
0.7063	Intermediate Similarity	NPD2415	Discontinued
0.7055	Intermediate Similarity	NPD8127	Discontinued
0.705	Intermediate Similarity	NPD5585	Approved
0.7047	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD4536	Approved
0.7047	Intermediate Similarity	NPD4538	Approved
0.7042	Intermediate Similarity	NPD2983	Phase 2
0.7042	Intermediate Similarity	NPD2982	Phase 2
0.7039	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7027	Intermediate Similarity	NPD447	Suspended
0.7024	Intermediate Similarity	NPD5953	Discontinued
0.7021	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD6652	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD6232	Discontinued
0.7007	Intermediate Similarity	NPD8032	Phase 2
0.6993	Remote Similarity	NPD4110	Phase 3
0.6993	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD5049	Phase 3
0.6987	Remote Similarity	NPD6273	Approved
0.6985	Remote Similarity	NPD5283	Phase 1
0.698	Remote Similarity	NPD6653	Approved
0.6978	Remote Similarity	NPD1894	Discontinued
0.6975	Remote Similarity	NPD6971	Discontinued
0.6972	Remote Similarity	NPD1608	Approved
0.6968	Remote Similarity	NPD1511	Approved
0.6968	Remote Similarity	NPD7212	Phase 2
0.6968	Remote Similarity	NPD7213	Phase 3
0.6962	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD2979	Phase 3
0.6957	Remote Similarity	NPD5353	Approved
0.6954	Remote Similarity	NPD6099	Approved
0.6954	Remote Similarity	NPD6100	Approved
0.695	Remote Similarity	NPD3847	Discontinued
0.6946	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD987	Approved
0.6939	Remote Similarity	NPD3764	Approved

Structure

CID222036 OpenBabel06191716012D 24 26 0 0 1 0 0 0 0 0999 V2000 -8.6369 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6369 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0029 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1369 -2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 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 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -1.8090 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 -7.1369 -2.7321 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 -2.5981 -1.5000 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 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 -1.0000 0.0000 C 0 0 2 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 -6.6369 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 -1.0000 0.0000 C 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 -7.1369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -0.1910 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 -5.6369 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 23 1 0 0 0 0 15 22 1 0 0 0 0 16 19 1 6 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 21 2 0 0 0 0 18 24 1 0 0 0 0 19 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	906523
ChEMBL	CHEMBL1578874
ZINC

Physicochemical Properties

Molecular Weight:	328.13
ALogP:	1.9846
MLogP:	3
XLogP:	3.83
# Rotatable Bonds:	8
Polar Surface Area:	61.83
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	24

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