NPASS Natural Product

Natural Product: NPC84479

Natural Product ID:	NPC84479
Common Name:	Isolinderalactone
IUPAC Name:	(3aS,4R,8bR)-4-ethenyl-4,8-dimethyl-3-methylidene-5,8b-dihydro-3aH-furo[2,3-e][1]benzofuran-2-one
Synonyms:	Isolinderalactone
Molecular Formula:	C15H16O3
Standard InCHIKey:	VXZIFOKTSURLNL-YDHLFZDLSA-N
Standard InCHI:	InChI=1S/C15H16O3/c1-5-15(4)6-10-11(8(2)7-17-10)13-12(15)9(3)14(16)18-13/h5,7,12-13H,1,3,6H2,2,4H3/t12-,13-,15-/m0/s1
Canonical SMILES:	C=C[C@@]1(C)Cc2occ(c2[C@H]2[C@@H]1C(=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	Reference
NPO23777	Delphinium occidentale	Species	Ranunculaceae	Eukaryota		UNPD*
NPO24318	Azospirillum halopraeferens	Species	Rhodospirillaceae	Bacteria		UNPD*
NPO24037	Cabucala erythrocarpa	Species	Apocynaceae	Eukaryota		UNPD*
NPO22671	Adenothamnus validus	Species	Asteraceae	Eukaryota		UNPD*
NPO20561	Allantophomopsis lycopodina	Species	Phacidiaceae	Eukaryota		UNPD*
NPO24122	Nematochrysopsis roscoffensis	NA	NA	NA		UNPD*
NPO23270	Neolitsea daibuensis	Species	Lauraceae	Eukaryota	Root	PMID[22148193]
NPO30415	Lindera aggregate	Species	Tineidae	Eukaryota		TCM_Taiwan*
NPO31274	Lindera strychnifolia	Species	Tineidae	Eukaryota		HerDing*
NPO319	Citrus limon	Species	Rutaceae	Eukaryota		HerDing*
NPO4682	Lindera aggregata	Species	Lauraceae	Eukaryota		TCMID*
NPO319	Citrus limon	Species	Rutaceae	Eukaryota		TCMID*
NPO28179	Cynops ensicauda	Species	Salamandridae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Cell Line	1
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT270	Individual Protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	300	nM	22148193
NPT113	Cell Line	RAW264.7	Mus musculus	CC50	=	66410	nM	22148193

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 NPC84479 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	252
0.1-0.2	1186
0.2-0.3	2028
0.3-0.4	4522
0.4-0.5	7843
0.5-0.6	5822
0.6-0.7	6091
0.7-0.8	2850
0.8-0.85	252
0.85-0.9	38
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9638	High Similarity	NPC205071
0.9433	High Similarity	NPC62799
0.9301	High Similarity	NPC19747
0.9236	High Similarity	NPC211625
0.9051	High Similarity	NPC293253
0.8986	High Similarity	NPC114880
0.8951	High Similarity	NPC64568
0.8926	High Similarity	NPC75310
0.8874	High Similarity	NPC474611
0.8867	High Similarity	NPC104736
0.8836	High Similarity	NPC221809
0.8819	High Similarity	NPC223415
0.8808	High Similarity	NPC304692
0.8792	High Similarity	NPC475777
0.8767	High Similarity	NPC97904
0.8716	High Similarity	NPC195325
0.869	High Similarity	NPC470741
0.8658	High Similarity	NPC212257
0.8636	High Similarity	NPC188649
0.8618	High Similarity	NPC41880
0.86	High Similarity	NPC18135
0.8581	High Similarity	NPC288602
0.8581	High Similarity	NPC71821
0.8581	High Similarity	NPC224418
0.8581	High Similarity	NPC283209
0.8581	High Similarity	NPC285567
0.8581	High Similarity	NPC88841
0.8562	High Similarity	NPC81405
0.8552	High Similarity	NPC20500
0.8543	High Similarity	NPC75906
0.8533	High Similarity	NPC156189
0.8533	High Similarity	NPC469335
0.8533	High Similarity	NPC159927
0.8533	High Similarity	NPC477404
0.8533	High Similarity	NPC476122
0.8533	High Similarity	NPC196864
0.8531	High Similarity	NPC286130
0.8531	High Similarity	NPC470742
0.8526	High Similarity	NPC472664
0.8526	High Similarity	NPC276735
0.8516	High Similarity	NPC18986
0.8506	High Similarity	NPC140952
0.8503	High Similarity	NPC251865
0.8487	Intermediate Similarity	NPC57998
0.8481	Intermediate Similarity	NPC296558
0.8472	Intermediate Similarity	NPC177262
0.8472	Intermediate Similarity	NPC476943
0.8471	Intermediate Similarity	NPC121995
0.8467	Intermediate Similarity	NPC472654
0.8456	Intermediate Similarity	NPC250228
0.8456	Intermediate Similarity	NPC470941
0.8452	Intermediate Similarity	NPC287559
0.8442	Intermediate Similarity	NPC261597
0.8442	Intermediate Similarity	NPC195954
0.8442	Intermediate Similarity	NPC299038
0.8442	Intermediate Similarity	NPC472776
0.8442	Intermediate Similarity	NPC472778
0.8442	Intermediate Similarity	NPC194499
0.8442	Intermediate Similarity	NPC88007
0.8442	Intermediate Similarity	NPC472777
0.8431	Intermediate Similarity	NPC44675
0.8431	Intermediate Similarity	NPC214541
0.8429	Intermediate Similarity	NPC21460
0.8421	Intermediate Similarity	NPC469503
0.8421	Intermediate Similarity	NPC476201
0.8418	Intermediate Similarity	NPC473753
0.8418	Intermediate Similarity	NPC473766
0.8408	Intermediate Similarity	NPC56358
0.8403	Intermediate Similarity	NPC310830
0.8403	Intermediate Similarity	NPC307401
0.8397	Intermediate Similarity	NPC68848
0.8392	Intermediate Similarity	NPC92941
0.8389	Intermediate Similarity	NPC233763
0.8389	Intermediate Similarity	NPC346
0.8387	Intermediate Similarity	NPC475967
0.8377	Intermediate Similarity	NPC204663
0.8375	Intermediate Similarity	NPC475641
0.8375	Intermediate Similarity	NPC475237
0.8367	Intermediate Similarity	NPC263337
0.8366	Intermediate Similarity	NPC178932
0.8366	Intermediate Similarity	NPC282445
0.8366	Intermediate Similarity	NPC30222
0.8357	Intermediate Similarity	NPC59502
0.8356	Intermediate Similarity	NPC148374
0.8345	Intermediate Similarity	NPC319140
0.8345	Intermediate Similarity	NPC95567
0.8345	Intermediate Similarity	NPC220094
0.8344	Intermediate Similarity	NPC476035
0.8344	Intermediate Similarity	NPC14499
0.8344	Intermediate Similarity	NPC470791
0.8344	Intermediate Similarity	NPC475039
0.8344	Intermediate Similarity	NPC470790
0.8333	Intermediate Similarity	NPC214572
0.8333	Intermediate Similarity	NPC191828
0.8333	Intermediate Similarity	NPC333139
0.8323	Intermediate Similarity	NPC195131
0.8323	Intermediate Similarity	NPC167142
0.8323	Intermediate Similarity	NPC36655
0.8323	Intermediate Similarity	NPC472772
0.8323	Intermediate Similarity	NPC249021
0.8323	Intermediate Similarity	NPC187149
0.8322	Intermediate Similarity	NPC56731
0.8322	Intermediate Similarity	NPC41182
0.8313	Intermediate Similarity	NPC472660
0.8313	Intermediate Similarity	NPC302392
0.8312	Intermediate Similarity	NPC472785
0.8312	Intermediate Similarity	NPC35000
0.8312	Intermediate Similarity	NPC469850
0.8312	Intermediate Similarity	NPC476262
0.8312	Intermediate Similarity	NPC469336
0.8311	Intermediate Similarity	NPC267632
0.8302	Intermediate Similarity	NPC270312
0.8301	Intermediate Similarity	NPC246164
0.8301	Intermediate Similarity	NPC121615
0.8301	Intermediate Similarity	NPC294511
0.8301	Intermediate Similarity	NPC268905
0.8299	Intermediate Similarity	NPC248795
0.8291	Intermediate Similarity	NPC27541
0.8291	Intermediate Similarity	NPC126984
0.8291	Intermediate Similarity	NPC261184
0.8291	Intermediate Similarity	NPC62692
0.8291	Intermediate Similarity	NPC61967
0.8289	Intermediate Similarity	NPC476936
0.8289	Intermediate Similarity	NPC228842
0.8288	Intermediate Similarity	NPC474722
0.8288	Intermediate Similarity	NPC202260
0.8288	Intermediate Similarity	NPC474615
0.828	Intermediate Similarity	NPC471003
0.8276	Intermediate Similarity	NPC310043
0.8276	Intermediate Similarity	NPC186626
0.8273	Intermediate Similarity	NPC216810
0.8269	Intermediate Similarity	NPC473368
0.8269	Intermediate Similarity	NPC475226
0.8267	Intermediate Similarity	NPC262198
0.8261	Intermediate Similarity	NPC294512
0.8261	Intermediate Similarity	NPC178382
0.8258	Intermediate Similarity	NPC209364
0.8258	Intermediate Similarity	NPC474542
0.8258	Intermediate Similarity	NPC107646
0.8255	Intermediate Similarity	NPC476944
0.8243	Intermediate Similarity	NPC121158
0.8243	Intermediate Similarity	NPC470856
0.8243	Intermediate Similarity	NPC473152
0.8239	Intermediate Similarity	NPC298190
0.8235	Intermediate Similarity	NPC191104
0.8235	Intermediate Similarity	NPC116717
0.8232	Intermediate Similarity	NPC472661
0.8228	Intermediate Similarity	NPC469846
0.8228	Intermediate Similarity	NPC419
0.8228	Intermediate Similarity	NPC165218
0.8224	Intermediate Similarity	NPC471001
0.8224	Intermediate Similarity	NPC266743
0.8219	Intermediate Similarity	NPC236532
0.8219	Intermediate Similarity	NPC472376
0.8217	Intermediate Similarity	NPC8389
0.8217	Intermediate Similarity	NPC305016
0.8212	Intermediate Similarity	NPC255414
0.8207	Intermediate Similarity	NPC46896
0.8207	Intermediate Similarity	NPC146872
0.8205	Intermediate Similarity	NPC470625
0.8205	Intermediate Similarity	NPC472283
0.8205	Intermediate Similarity	NPC286722
0.82	Intermediate Similarity	NPC184702
0.8194	Intermediate Similarity	NPC264943
0.8188	Intermediate Similarity	NPC243577
0.8187	Intermediate Similarity	NPC472784
0.8182	Intermediate Similarity	NPC476940
0.8182	Intermediate Similarity	NPC29695
0.8182	Intermediate Similarity	NPC182427
0.8182	Intermediate Similarity	NPC308205
0.8182	Intermediate Similarity	NPC322546
0.8182	Intermediate Similarity	NPC476939
0.8175	Intermediate Similarity	NPC97566
0.8171	Intermediate Similarity	NPC472665
0.817	Intermediate Similarity	NPC88445
0.817	Intermediate Similarity	NPC5180
0.8165	Intermediate Similarity	NPC472668
0.8165	Intermediate Similarity	NPC82851
0.8165	Intermediate Similarity	NPC472771
0.8165	Intermediate Similarity	NPC470939
0.8165	Intermediate Similarity	NPC6326
0.8165	Intermediate Similarity	NPC79571
0.8165	Intermediate Similarity	NPC472767
0.8163	Intermediate Similarity	NPC90953
0.8158	Intermediate Similarity	NPC74539
0.8158	Intermediate Similarity	NPC304443
0.8158	Intermediate Similarity	NPC93666
0.8153	Intermediate Similarity	NPC84349
0.8153	Intermediate Similarity	NPC116639
0.8153	Intermediate Similarity	NPC473473
0.8153	Intermediate Similarity	NPC474932
0.8153	Intermediate Similarity	NPC307383
0.8153	Intermediate Similarity	NPC475295
0.8146	Intermediate Similarity	NPC246903
0.8146	Intermediate Similarity	NPC208584
0.8141	Intermediate Similarity	NPC126723
0.8141	Intermediate Similarity	NPC60973
0.8141	Intermediate Similarity	NPC263265
0.8138	Intermediate Similarity	NPC158525
0.8133	Intermediate Similarity	NPC86935

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC84479 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	265
0.1-0.2	936
0.2-0.3	1650
0.3-0.4	2681
0.4-0.5	2144
0.5-0.6	1048
0.6-0.7	364
0.7-0.8	69
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8333	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.8158	Intermediate Similarity	NPD920	Approved
0.8146	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7962	Intermediate Similarity	NPD5760	Phase 2
0.7962	Intermediate Similarity	NPD5761	Phase 2
0.787	Intermediate Similarity	NPD8434	Phase 2
0.7815	Intermediate Similarity	NPD1243	Approved
0.7792	Intermediate Similarity	NPD2534	Approved
0.7792	Intermediate Similarity	NPD2533	Approved
0.7792	Intermediate Similarity	NPD2532	Approved
0.7682	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD919	Approved
0.7616	Intermediate Similarity	NPD2796	Approved
0.7566	Intermediate Similarity	NPD1471	Phase 3
0.7547	Intermediate Similarity	NPD6599	Discontinued
0.7516	Intermediate Similarity	NPD7819	Suspended
0.75	Intermediate Similarity	NPD5494	Approved
0.7471	Intermediate Similarity	NPD6764	Approved
0.7471	Intermediate Similarity	NPD6765	Approved
0.7468	Intermediate Similarity	NPD2800	Approved
0.7455	Intermediate Similarity	NPD1247	Approved
0.7419	Intermediate Similarity	NPD4628	Phase 3
0.7301	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD6785	Approved
0.7299	Intermediate Similarity	NPD6784	Approved
0.729	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD6799	Approved
0.7273	Intermediate Similarity	NPD1551	Phase 2
0.7273	Intermediate Similarity	NPD3749	Approved
0.7267	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD6559	Discontinued
0.7235	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD2346	Discontinued
0.7222	Intermediate Similarity	NPD17	Approved
0.7208	Intermediate Similarity	NPD3748	Approved
0.7208	Intermediate Similarity	NPD2799	Discontinued
0.7188	Intermediate Similarity	NPD6273	Approved
0.7179	Intermediate Similarity	NPD1549	Phase 2
0.7178	Intermediate Similarity	NPD7411	Suspended
0.7169	Intermediate Similarity	NPD7075	Discontinued
0.716	Intermediate Similarity	NPD3226	Approved
0.7134	Intermediate Similarity	NPD6801	Discontinued
0.7134	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD6832	Phase 2
0.7125	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD2344	Approved
0.7115	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD6002	Phase 3
0.7115	Intermediate Similarity	NPD6004	Phase 3
0.7115	Intermediate Similarity	NPD6005	Phase 3
0.7115	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD1019	Discontinued
0.7101	Intermediate Similarity	NPD5710	Approved
0.7101	Intermediate Similarity	NPD5711	Approved
0.7091	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD1607	Approved
0.7075	Intermediate Similarity	NPD3972	Approved
0.7075	Intermediate Similarity	NPD1608	Approved
0.7059	Intermediate Similarity	NPD1240	Approved
0.7059	Intermediate Similarity	NPD3926	Phase 2
0.7048	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD3817	Phase 2
0.7039	Intermediate Similarity	NPD2313	Discontinued
0.7013	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD3882	Suspended
0.7	Intermediate Similarity	NPD6808	Phase 2
0.7	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD5844	Phase 1
0.6993	Remote Similarity	NPD8032	Phase 2
0.6987	Remote Similarity	NPD1510	Phase 2
0.6986	Remote Similarity	NPD1778	Approved
0.6981	Remote Similarity	NPD3750	Approved
0.6977	Remote Similarity	NPD7473	Discontinued
0.6959	Remote Similarity	NPD9717	Approved
0.6946	Remote Similarity	NPD5402	Approved
0.6943	Remote Similarity	NPD2935	Discontinued
0.6943	Remote Similarity	NPD6099	Approved
0.6943	Remote Similarity	NPD6100	Approved
0.6941	Remote Similarity	NPD6959	Discontinued
0.6937	Remote Similarity	NPD2309	Approved
0.6936	Remote Similarity	NPD3818	Discontinued
0.6933	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD1934	Approved
0.6928	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD4380	Phase 2
0.6905	Remote Similarity	NPD7768	Phase 2
0.6905	Remote Similarity	NPD4965	Approved
0.6905	Remote Similarity	NPD4967	Phase 2
0.6905	Remote Similarity	NPD4966	Approved
0.6905	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD447	Suspended
0.6901	Remote Similarity	NPD6232	Discontinued
0.6875	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6864	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD6651	Approved
0.6853	Remote Similarity	NPD1241	Discontinued
0.6849	Remote Similarity	NPD9545	Approved
0.6848	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6845	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD5403	Approved
0.6826	Remote Similarity	NPD6279	Approved
0.6826	Remote Similarity	NPD6280	Approved
0.6824	Remote Similarity	NPD6234	Discontinued
0.6821	Remote Similarity	NPD3267	Approved
0.6821	Remote Similarity	NPD3266	Approved
0.6821	Remote Similarity	NPD8404	Phase 2
0.6821	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD411	Approved
0.6816	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.681	Remote Similarity	NPD5401	Approved
0.6803	Remote Similarity	NPD5585	Approved
0.6803	Remote Similarity	NPD5691	Approved
0.6802	Remote Similarity	NPD7229	Phase 3
0.6795	Remote Similarity	NPD230	Phase 1
0.679	Remote Similarity	NPD7236	Approved
0.6786	Remote Similarity	NPD2801	Approved
0.6779	Remote Similarity	NPD1281	Approved
0.6776	Remote Similarity	NPD2798	Approved
0.6772	Remote Similarity	NPD7033	Discontinued
0.677	Remote Similarity	NPD7003	Approved
0.6755	Remote Similarity	NPD1876	Approved
0.6748	Remote Similarity	NPD1511	Approved
0.6747	Remote Similarity	NPD7458	Discontinued
0.6744	Remote Similarity	NPD8127	Discontinued
0.6731	Remote Similarity	NPD2979	Phase 3
0.6731	Remote Similarity	NPD4307	Phase 2
0.6726	Remote Similarity	NPD37	Approved
0.6723	Remote Similarity	NPD5953	Discontinued
0.6721	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD2797	Approved
0.6711	Remote Similarity	NPD1203	Approved
0.671	Remote Similarity	NPD3268	Approved
0.6708	Remote Similarity	NPD2654	Approved
0.6705	Remote Similarity	NPD7286	Phase 2
0.6704	Remote Similarity	NPD8313	Approved
0.6704	Remote Similarity	NPD8312	Approved
0.6667	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1512	Approved
0.6649	Remote Similarity	NPD4107	Approved
0.6648	Remote Similarity	NPD7799	Discontinued
0.6647	Remote Similarity	NPD5353	Approved
0.6647	Remote Similarity	NPD7199	Phase 2
0.6645	Remote Similarity	NPD1283	Approved
0.6629	Remote Similarity	NPD6166	Phase 2
0.6629	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6629	Remote Similarity	NPD2403	Approved
0.6629	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD3887	Approved
0.6625	Remote Similarity	NPD2438	Suspended
0.6624	Remote Similarity	NPD4140	Approved
0.662	Remote Similarity	NPD2182	Approved
0.661	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD1296	Phase 2
0.6603	Remote Similarity	NPD3764	Approved
0.6599	Remote Similarity	NPD9493	Approved
0.6597	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD3658	Clinical (unspecified phase)
0.6588	Remote Similarity	NPD1465	Phase 2
0.6587	Remote Similarity	NPD7239	Suspended
0.6582	Remote Similarity	NPD5124	Phase 1
0.6582	Remote Similarity	NPD1933	Approved
0.6582	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD6355	Discontinued
0.6579	Remote Similarity	NPD4359	Approved
0.6577	Remote Similarity	NPD1651	Approved
0.6573	Remote Similarity	NPD7074	Phase 3
0.6571	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD5242	Approved
0.6568	Remote Similarity	NPD5890	Approved
0.6568	Remote Similarity	NPD5889	Approved
0.6566	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6564	Remote Similarity	NPD4110	Phase 3
0.6562	Remote Similarity	NPD4308	Phase 3
0.6558	Remote Similarity	NPD5647	Approved
0.6556	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6554	Remote Similarity	NPD7228	Approved
0.6545	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD4626	Approved
0.6526	Remote Similarity	NPD4482	Phase 3
0.6522	Remote Similarity	NPD4287	Approved
0.6519	Remote Similarity	NPD3142	Approved
0.6519	Remote Similarity	NPD3140	Approved
0.6517	Remote Similarity	NPD7054	Approved
0.6516	Remote Similarity	NPD9494	Approved
0.6508	Remote Similarity	NPD8285	Discontinued
0.649	Remote Similarity	NPD3496	Discontinued
0.6484	Remote Similarity	NPD8407	Phase 2
0.648	Remote Similarity	NPD1729	Discontinued

Structure

External Identifiers

PubChem CID	5318587
ChEMBL	CHEMBL1927943
ZINC

Physicochemical Properties

Molecular Weight:	244.11
ALogP:	2.0283
MLogP:	2.78
XLogP:	2.549
# Rotatable Bonds:	3
Polar Surface Area:	39.44
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	18

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