NPASS Natural Product

Natural Product: NPC143725

Natural Product ID:	NPC143725
Common Name:	Dipetalolactone
IUPAC Name:
Synonyms:	Dipetalolactone
Molecular Formula:	C19H18O4
Standard InCHIKey:	BHLCTWNBGOOKAJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H18O4/c1-18(2)9-7-12-15-11(5-6-14(20)21-15)16-13(17(12)23-18)8-10-19(3,4)22-16/h5-10H,1-4H3
Canonical SMILES:	O=c1ccc2c(o1)c1C=CC(Oc1c1c2OC(C)(C)C=C1)(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO5476	Hortia arborea	Species	Rutaceae	Eukaryota	Gazz. Chim. Ital.,1976,106: 681-689
NPO26987	Zanthoxylum dipetalum	Species	Rutaceae	Eukaryota	Phytochemistry,1976,15: 313-316
NPO11324	Philotheca citrina	Species	Rutaceae	Eukaryota	UNPD*
NPO1806	Clibadium terebinthinaceum	Species	Asteraceae	Eukaryota	UNPD*
NPO8732	Thermopsis fabacea	Species	Fabaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	7

Activity Type	# Activity
Organism	7

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	11	mm	15679322
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	IZ	=	7	mm	15679322
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	=	11	mm	15679322
NPT1033	Organism	Enterobacter cloacae	Enterobacter cloacae	IZ	=	7	mm	15679322
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	7	mm	15679322
NPT172	Organism	Proteus mirabilis	Proteus mirabilis	IZ	=	7	mm	15679322
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	IZ	=	7	mm	15679322

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 NPC143725 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	243
0.1-0.2	1298
0.2-0.3	3196
0.3-0.4	8295
0.4-0.5	5068
0.5-0.6	4207
0.6-0.7	6858
0.7-0.8	1475
0.8-0.85	132
0.85-0.9	88
0.9-0.95	25
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9744	High Similarity	NPC150214
0.9661	High Similarity	NPC50720
0.95	High Similarity	NPC202594
0.95	High Similarity	NPC232692
0.9421	High Similarity	NPC163248
0.9417	High Similarity	NPC291899
0.9344	High Similarity	NPC289316
0.9333	High Similarity	NPC154176
0.9333	High Similarity	NPC173350
0.9333	High Similarity	NPC290605
0.9268	High Similarity	NPC293642
0.9268	High Similarity	NPC139595
0.9268	High Similarity	NPC60704
0.925	High Similarity	NPC13007
0.925	High Similarity	NPC257188
0.9174	High Similarity	NPC109675
0.9174	High Similarity	NPC273772
0.9127	High Similarity	NPC469956
0.9113	High Similarity	NPC157212
0.9106	High Similarity	NPC471826
0.9098	High Similarity	NPC73413
0.9098	High Similarity	NPC27671
0.9098	High Similarity	NPC201667
0.9048	High Similarity	NPC66430
0.9048	High Similarity	NPC37009
0.9024	High Similarity	NPC471827
0.9024	High Similarity	NPC471828
0.9016	High Similarity	NPC472518
0.9008	High Similarity	NPC144418
0.8943	High Similarity	NPC111347
0.8934	High Similarity	NPC96286
0.8934	High Similarity	NPC248429
0.8906	High Similarity	NPC291551
0.8906	High Similarity	NPC469952
0.8906	High Similarity	NPC83535
0.8906	High Similarity	NPC142563
0.8906	High Similarity	NPC205797
0.8906	High Similarity	NPC241165
0.8906	High Similarity	NPC469955
0.8906	High Similarity	NPC1220
0.8906	High Similarity	NPC141822
0.8837	High Similarity	NPC147030
0.8833	High Similarity	NPC152306
0.8828	High Similarity	NPC19157
0.881	High Similarity	NPC472519
0.881	High Similarity	NPC185066
0.877	High Similarity	NPC180006
0.877	High Similarity	NPC163200
0.877	High Similarity	NPC235190
0.876	High Similarity	NPC296624
0.876	High Similarity	NPC318400
0.876	High Similarity	NPC207002
0.876	High Similarity	NPC133956
0.876	High Similarity	NPC298796
0.876	High Similarity	NPC167111
0.876	High Similarity	NPC471910
0.873	High Similarity	NPC243688
0.871	High Similarity	NPC315807
0.8692	High Similarity	NPC100986
0.8692	High Similarity	NPC260265
0.8692	High Similarity	NPC267412
0.8692	High Similarity	NPC198381
0.8692	High Similarity	NPC166672
0.8692	High Similarity	NPC164269
0.8692	High Similarity	NPC84894
0.8692	High Similarity	NPC127888
0.8692	High Similarity	NPC131950
0.8692	High Similarity	NPC195343
0.8692	High Similarity	NPC47163
0.8692	High Similarity	NPC319859
0.8692	High Similarity	NPC287182
0.8692	High Similarity	NPC74655
0.8692	High Similarity	NPC18804
0.8682	High Similarity	NPC123954
0.8682	High Similarity	NPC14248
0.8678	High Similarity	NPC265547
0.8672	High Similarity	NPC80170
0.8672	High Similarity	NPC32463
0.8626	High Similarity	NPC472424
0.8626	High Similarity	NPC471625
0.8626	High Similarity	NPC86892
0.8626	High Similarity	NPC471909
0.8626	High Similarity	NPC281241
0.8615	High Similarity	NPC222036
0.8615	High Similarity	NPC469965
0.8615	High Similarity	NPC7526
0.8607	High Similarity	NPC281356
0.8594	High Similarity	NPC168710
0.8571	High Similarity	NPC137262
0.8571	High Similarity	NPC37428
0.8571	High Similarity	NPC35501
0.8571	High Similarity	NPC47040
0.8571	High Similarity	NPC244495
0.8571	High Similarity	NPC278600
0.8571	High Similarity	NPC93219
0.8571	High Similarity	NPC38153
0.8571	High Similarity	NPC144512
0.8561	High Similarity	NPC160727
0.8561	High Similarity	NPC476455
0.8561	High Similarity	NPC177281
0.8561	High Similarity	NPC283019
0.8561	High Similarity	NPC471630
0.8561	High Similarity	NPC55615
0.8561	High Similarity	NPC128529
0.8561	High Similarity	NPC149320
0.855	High Similarity	NPC213173
0.855	High Similarity	NPC307412
0.855	High Similarity	NPC55149
0.855	High Similarity	NPC224475
0.855	High Similarity	NPC180716
0.8527	High Similarity	NPC113098
0.8525	High Similarity	NPC96705
0.8516	High Similarity	NPC199204
0.8512	High Similarity	NPC128633
0.8507	High Similarity	NPC71903
0.8504	High Similarity	NPC234109
0.8504	High Similarity	NPC188327
0.8485	Intermediate Similarity	NPC469675
0.8485	Intermediate Similarity	NPC472521
0.8485	Intermediate Similarity	NPC472525
0.8473	Intermediate Similarity	NPC472522
0.8473	Intermediate Similarity	NPC54503
0.8473	Intermediate Similarity	NPC31849
0.8462	Intermediate Similarity	NPC267336
0.8462	Intermediate Similarity	NPC272650
0.8462	Intermediate Similarity	NPC29734
0.8444	Intermediate Similarity	NPC170812
0.8438	Intermediate Similarity	NPC258567
0.8438	Intermediate Similarity	NPC224774
0.8438	Intermediate Similarity	NPC121740
0.8433	Intermediate Similarity	NPC279573
0.8433	Intermediate Similarity	NPC211110
0.8421	Intermediate Similarity	NPC167517
0.8421	Intermediate Similarity	NPC283331
0.8409	Intermediate Similarity	NPC62366
0.8372	Intermediate Similarity	NPC469453
0.837	Intermediate Similarity	NPC312881
0.8358	Intermediate Similarity	NPC155963
0.8358	Intermediate Similarity	NPC306365
0.8358	Intermediate Similarity	NPC153818
0.8358	Intermediate Similarity	NPC232246
0.8346	Intermediate Similarity	NPC229128
0.8346	Intermediate Similarity	NPC61499
0.8333	Intermediate Similarity	NPC469449
0.8333	Intermediate Similarity	NPC55147
0.8321	Intermediate Similarity	NPC472517
0.8321	Intermediate Similarity	NPC201820
0.832	Intermediate Similarity	NPC319378
0.832	Intermediate Similarity	NPC302107
0.8309	Intermediate Similarity	NPC287286
0.8309	Intermediate Similarity	NPC152771
0.8309	Intermediate Similarity	NPC195357
0.8308	Intermediate Similarity	NPC474289
0.8296	Intermediate Similarity	NPC270256
0.8296	Intermediate Similarity	NPC151946
0.8293	Intermediate Similarity	NPC263754
0.8293	Intermediate Similarity	NPC183154
0.8284	Intermediate Similarity	NPC224543
0.8284	Intermediate Similarity	NPC38099
0.8284	Intermediate Similarity	NPC78746
0.8284	Intermediate Similarity	NPC188380
0.8284	Intermediate Similarity	NPC26954
0.8284	Intermediate Similarity	NPC104796
0.8281	Intermediate Similarity	NPC168259
0.8271	Intermediate Similarity	NPC253574
0.8271	Intermediate Similarity	NPC326600
0.8271	Intermediate Similarity	NPC50896
0.8271	Intermediate Similarity	NPC98179
0.8271	Intermediate Similarity	NPC204353
0.8258	Intermediate Similarity	NPC175159
0.8258	Intermediate Similarity	NPC194277
0.8258	Intermediate Similarity	NPC281558
0.8254	Intermediate Similarity	NPC52247
0.8254	Intermediate Similarity	NPC187868
0.8248	Intermediate Similarity	NPC221173
0.8244	Intermediate Similarity	NPC19242
0.824	Intermediate Similarity	NPC247553
0.8222	Intermediate Similarity	NPC225106
0.8222	Intermediate Similarity	NPC294456
0.8222	Intermediate Similarity	NPC14697
0.8222	Intermediate Similarity	NPC212124
0.8222	Intermediate Similarity	NPC184861
0.8222	Intermediate Similarity	NPC281014
0.8217	Intermediate Similarity	NPC101894
0.8209	Intermediate Similarity	NPC33986
0.8201	Intermediate Similarity	NPC469701
0.8201	Intermediate Similarity	NPC295696
0.8195	Intermediate Similarity	NPC2363
0.8195	Intermediate Similarity	NPC163557
0.8195	Intermediate Similarity	NPC472524
0.8188	Intermediate Similarity	NPC119640
0.8188	Intermediate Similarity	NPC183646
0.8188	Intermediate Similarity	NPC470555
0.8175	Intermediate Similarity	NPC183642
0.8175	Intermediate Similarity	NPC472523
0.8175	Intermediate Similarity	NPC472343
0.8175	Intermediate Similarity	NPC138149
0.8175	Intermediate Similarity	NPC472520
0.8175	Intermediate Similarity	NPC310370
0.8175	Intermediate Similarity	NPC279851

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC143725 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	989
0.2-0.3	1721
0.3-0.4	2944
0.4-0.5	1817
0.5-0.6	1026
0.6-0.7	345
0.7-0.8	54
0.8-0.85	1
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8906	High Similarity	NPD5123	Clinical (unspecified phase)
0.8906	High Similarity	NPD5124	Phase 1
0.8254	Intermediate Similarity	NPD422	Phase 1
0.7955	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7883	Intermediate Similarity	NPD3748	Approved
0.7836	Intermediate Similarity	NPD1296	Phase 2
0.7786	Intermediate Similarity	NPD3225	Approved
0.775	Intermediate Similarity	NPD9697	Approved
0.7742	Intermediate Similarity	NPD5535	Approved
0.7639	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7606	Intermediate Similarity	NPD3750	Approved
0.7574	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD1652	Phase 2
0.7535	Intermediate Similarity	NPD1243	Approved
0.7483	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD3267	Approved
0.7463	Intermediate Similarity	NPD2797	Approved
0.7463	Intermediate Similarity	NPD3266	Approved
0.745	Intermediate Similarity	NPD7411	Suspended
0.7447	Intermediate Similarity	NPD2796	Approved
0.7426	Intermediate Similarity	NPD4908	Phase 1
0.7415	Intermediate Similarity	NPD920	Approved
0.74	Intermediate Similarity	NPD6801	Discontinued
0.7398	Intermediate Similarity	NPD3134	Approved
0.7385	Intermediate Similarity	NPD1548	Phase 1
0.7339	Intermediate Similarity	NPD1358	Approved
0.7338	Intermediate Similarity	NPD4307	Phase 2
0.7328	Intermediate Similarity	NPD5691	Approved
0.7319	Intermediate Similarity	NPD3268	Approved
0.7292	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD7768	Phase 2
0.7246	Intermediate Similarity	NPD4625	Phase 3
0.7237	Intermediate Similarity	NPD7819	Suspended
0.7237	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD6799	Approved
0.72	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD4749	Approved
0.7181	Intermediate Similarity	NPD5403	Approved
0.7176	Intermediate Similarity	NPD7644	Approved
0.7174	Intermediate Similarity	NPD6832	Phase 2
0.7164	Intermediate Similarity	NPD1610	Phase 2
0.7162	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD5401	Approved
0.7143	Intermediate Similarity	NPD4626	Approved
0.7133	Intermediate Similarity	NPD4308	Phase 3
0.7133	Intermediate Similarity	NPD1653	Approved
0.7111	Intermediate Similarity	NPD9717	Approved
0.7097	Intermediate Similarity	NPD7075	Discontinued
0.7071	Intermediate Similarity	NPD2313	Discontinued
0.7055	Intermediate Similarity	NPD2800	Approved
0.7039	Intermediate Similarity	NPD6599	Discontinued
0.7037	Intermediate Similarity	NPD1611	Approved
0.7014	Intermediate Similarity	NPD7033	Discontinued
0.7014	Intermediate Similarity	NPD2799	Discontinued
0.6993	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD3749	Approved
0.6986	Remote Similarity	NPD1549	Phase 2
0.698	Remote Similarity	NPD7837	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD4288	Approved
0.6966	Remote Similarity	NPD1551	Phase 2
0.6963	Remote Similarity	NPD3496	Discontinued
0.6957	Remote Similarity	NPD1203	Approved
0.695	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD919	Approved
0.6937	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD2532	Approved
0.6933	Remote Similarity	NPD2534	Approved
0.6933	Remote Similarity	NPD2533	Approved
0.6929	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD4380	Phase 2
0.6923	Remote Similarity	NPD4340	Discontinued
0.6918	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD5844	Phase 1
0.6906	Remote Similarity	NPD1019	Discontinued
0.6897	Remote Similarity	NPD1510	Phase 2
0.6887	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD8651	Approved
0.6875	Remote Similarity	NPD6651	Approved
0.6871	Remote Similarity	NPD970	Clinical (unspecified phase)
0.687	Remote Similarity	NPD1241	Discontinued
0.6859	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD3817	Phase 2
0.6859	Remote Similarity	NPD5402	Approved
0.6857	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD1240	Approved
0.6853	Remote Similarity	NPD4060	Phase 1
0.6849	Remote Similarity	NPD2935	Discontinued
0.6831	Remote Similarity	NPD6798	Discontinued
0.6828	Remote Similarity	NPD7097	Phase 1
0.6818	Remote Similarity	NPD6585	Discontinued
0.6815	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD1933	Approved
0.6795	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD5494	Approved
0.6779	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6779	Remote Similarity	NPD7466	Approved
0.6776	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD1778	Approved
0.6765	Remote Similarity	NPD17	Approved
0.6761	Remote Similarity	NPD7095	Approved
0.6759	Remote Similarity	NPD1607	Approved
0.6757	Remote Similarity	NPD2424	Discontinued
0.6755	Remote Similarity	NPD7212	Phase 2
0.6755	Remote Similarity	NPD7213	Phase 3
0.6747	Remote Similarity	NPD7549	Discontinued
0.6744	Remote Similarity	NPD2684	Approved
0.6738	Remote Similarity	NPD3018	Phase 2
0.6736	Remote Similarity	NPD1613	Approved
0.6736	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD6099	Approved
0.6735	Remote Similarity	NPD6100	Approved
0.6732	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD7447	Phase 1
0.6689	Remote Similarity	NPD6666	Approved
0.6689	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD6002	Phase 3
0.6689	Remote Similarity	NPD6005	Phase 3
0.6689	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD2346	Discontinued
0.6689	Remote Similarity	NPD6004	Phase 3
0.6689	Remote Similarity	NPD6667	Approved
0.6688	Remote Similarity	NPD1465	Phase 2
0.6667	Remote Similarity	NPD5049	Phase 3
0.6667	Remote Similarity	NPD8032	Phase 2
0.6667	Remote Similarity	NPD846	Approved
0.6667	Remote Similarity	NPD5890	Approved
0.6667	Remote Similarity	NPD4628	Phase 3
0.6667	Remote Similarity	NPD5889	Approved
0.6667	Remote Similarity	NPD940	Approved
0.6667	Remote Similarity	NPD7843	Approved
0.6667	Remote Similarity	NPD1091	Approved
0.6645	Remote Similarity	NPD1511	Approved
0.6645	Remote Similarity	NPD3226	Approved
0.6642	Remote Similarity	NPD6671	Approved
0.6642	Remote Similarity	NPD6387	Discontinued
0.6626	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6622	Remote Similarity	NPD2862	Discontinued
0.6621	Remote Similarity	NPD4140	Approved
0.6619	Remote Similarity	NPD2981	Phase 2
0.6619	Remote Similarity	NPD1608	Approved
0.6618	Remote Similarity	NPD1894	Discontinued
0.6606	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD7286	Phase 2
0.6605	Remote Similarity	NPD7229	Phase 3
0.6599	Remote Similarity	NPD2200	Suspended
0.6597	Remote Similarity	NPD7985	Registered
0.6597	Remote Similarity	NPD411	Approved
0.6594	Remote Similarity	NPD3847	Discontinued
0.6591	Remote Similarity	NPD1139	Approved
0.6591	Remote Similarity	NPD1137	Approved
0.6582	Remote Similarity	NPD2801	Approved
0.6575	Remote Similarity	NPD447	Suspended
0.6575	Remote Similarity	NPD6355	Discontinued
0.6571	Remote Similarity	NPD2982	Phase 2
0.6571	Remote Similarity	NPD2983	Phase 2
0.6569	Remote Similarity	NPD5585	Approved
0.6565	Remote Similarity	NPD5451	Approved
0.6562	Remote Similarity	NPD6971	Discontinued
0.6558	Remote Similarity	NPD1512	Approved
0.6556	Remote Similarity	NPD7003	Approved
0.6552	Remote Similarity	NPD6233	Phase 2
0.6549	Remote Similarity	NPD2798	Approved
0.6549	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6547	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6544	Remote Similarity	NPD5536	Phase 2
0.6543	Remote Similarity	NPD6959	Discontinued
0.6541	Remote Similarity	NPD1138	Approved
0.6538	Remote Similarity	NPD290	Approved
0.6538	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6528	Remote Similarity	NPD3027	Phase 3
0.6527	Remote Similarity	NPD5953	Discontinued
0.6525	Remote Similarity	NPD6696	Suspended
0.6519	Remote Similarity	NPD7157	Approved
0.6519	Remote Similarity	NPD1934	Approved
0.651	Remote Similarity	NPD4476	Approved
0.651	Remote Similarity	NPD4477	Approved
0.6503	Remote Similarity	NPD2861	Phase 2
0.6503	Remote Similarity	NPD6232	Discontinued
0.6496	Remote Similarity	NPD9545	Approved
0.6494	Remote Similarity	NPD2335	Discontinued
0.6494	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD592	Approved
0.6493	Remote Similarity	NPD1398	Phase 1
0.6493	Remote Similarity	NPD594	Approved
0.649	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.649	Remote Similarity	NPD6674	Discontinued
0.6488	Remote Similarity	NPD6559	Discontinued
0.6483	Remote Similarity	NPD3764	Approved
0.6478	Remote Similarity	NPD8455	Phase 2
0.6471	Remote Similarity	NPD7340	Approved
0.6467	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD5763	Approved
0.6467	Remote Similarity	NPD5762	Approved

Structure

CID143725 OpenBabel06191715502D 23 26 0 0 0 0 0 0 0 0999 V2000 -3.3052 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6742 3.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 0.5000 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 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 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 -3.4641 3.0000 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 0.0000 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 -3.4641 -1.0000 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 -0.8660 0.5000 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 -2.5981 3.5000 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 -4.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 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 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11438305
ChEMBL	CHEMBL481240
ZINC

Physicochemical Properties

Molecular Weight:	310.12
ALogP:	2.0856
MLogP:	3.11
XLogP:	3.369
# Rotatable Bonds:	4
Polar Surface Area:	44.76
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	23

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