NPASS Natural Product

Natural Product: NPC154696

Natural Product ID:	NPC154696
Common Name:	(+)-(5S)-12-Hydroxy-2-Oxo-20-Norabieta-1(10),8,11,13-Tetraene
IUPAC Name:	(10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,9,10,10a-tetrahydrophenanthren-3-one
Synonyms:
Molecular Formula:	C19H24O2
Standard InCHIKey:	CCJNNPFPCPVLJY-QGZVFWFLSA-N
Standard InCHI:	InChI=1S/C19H24O2/c1-11(2)14-7-12-5-6-17-16(15(12)9-18(14)21)8-13(20)10-19(17,3)4/h7-9,11,17,21H,5-6,10H2,1-4H3/t17-/m1/s1
Canonical SMILES:	O=C1C=C2c3cc(O)c(cc3CC[C@H]2C(C1)(C)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
NPO30984	Fraxinus sieboldiana	Species	Oleaceae	Eukaryota	Stem bark	Lu Mountain, Jiangxi Province, China	2004-AUG	PMID[20961093]
NPO30984	Fraxinus sieboldiana	Species	Oleaceae	Eukaryota	Stems			PMID[20961093]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT179	Cell Line	A2780	Homo sapiens	IC50	>	10000	nM	20961093
NPT180	Cell Line	HCT-8	Homo sapiens	IC50	>	10000	nM	20961093
NPT181	Cell Line	Bel-7402	Homo sapiens	IC50	>	10000	nM	20961093
NPT547	Cell Line	BGC-823	Homo sapiens	IC50	>	10000	nM	20961093
NPT81	Cell Line	A549	Homo sapiens	IC50	>	10000	nM	20961093

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 NPC154696 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	206
0.1-0.2	1170
0.2-0.3	1718
0.3-0.4	4550
0.4-0.5	7417
0.5-0.6	6271
0.6-0.7	7321
0.7-0.8	1919
0.8-0.85	226
0.85-0.9	61
0.9-0.95	27
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9739	High Similarity	NPC32322
0.9739	High Similarity	NPC259703
0.95	High Similarity	NPC72667
0.9417	High Similarity	NPC254492
0.9412	High Similarity	NPC199273
0.9344	High Similarity	NPC171460
0.9339	High Similarity	NPC78364
0.9339	High Similarity	NPC176130
0.9339	High Similarity	NPC84672
0.9339	High Similarity	NPC69424
0.9328	High Similarity	NPC471187
0.9322	High Similarity	NPC162935
0.9322	High Similarity	NPC249340
0.9256	High Similarity	NPC71610
0.925	High Similarity	NPC181334
0.9244	High Similarity	NPC176208
0.9244	High Similarity	NPC11250
0.9237	High Similarity	NPC241001
0.9187	High Similarity	NPC276238
0.912	High Similarity	NPC165612
0.9113	High Similarity	NPC108129
0.9106	High Similarity	NPC96024
0.9083	High Similarity	NPC121168
0.9083	High Similarity	NPC282577
0.904	High Similarity	NPC471851
0.9032	High Similarity	NPC303910
0.9016	High Similarity	NPC137750
0.9008	High Similarity	NPC273683
0.9008	High Similarity	NPC198014
0.9	High Similarity	NPC253627
0.8992	High Similarity	NPC318552
0.8992	High Similarity	NPC190501
0.8992	High Similarity	NPC478121
0.8957	High Similarity	NPC250323
0.8952	High Similarity	NPC3009
0.8908	High Similarity	NPC42657
0.8898	High Similarity	NPC477139
0.8898	High Similarity	NPC138472
0.8898	High Similarity	NPC78307
0.887	High Similarity	NPC260323
0.887	High Similarity	NPC176279
0.8862	High Similarity	NPC123506
0.8862	High Similarity	NPC87985
0.8828	High Similarity	NPC202225
0.8814	High Similarity	NPC471668
0.8783	High Similarity	NPC13482
0.875	High Similarity	NPC111845
0.875	High Similarity	NPC258366
0.875	High Similarity	NPC473974
0.875	High Similarity	NPC79933
0.875	High Similarity	NPC31296
0.874	High Similarity	NPC476847
0.8739	High Similarity	NPC477136
0.873	High Similarity	NPC131684
0.8729	High Similarity	NPC35797
0.8729	High Similarity	NPC192948
0.8699	High Similarity	NPC275145
0.8684	High Similarity	NPC151477
0.8661	High Similarity	NPC253488
0.8655	High Similarity	NPC308311
0.8655	High Similarity	NPC38893
0.8655	High Similarity	NPC477137
0.8644	High Similarity	NPC195922
0.8629	High Similarity	NPC75432
0.8629	High Similarity	NPC15127
0.8626	High Similarity	NPC53001
0.8626	High Similarity	NPC36868
0.8626	High Similarity	NPC475957
0.8621	High Similarity	NPC141782
0.8615	High Similarity	NPC153088
0.8607	High Similarity	NPC164852
0.8596	High Similarity	NPC21594
0.8595	High Similarity	NPC93071
0.8583	High Similarity	NPC304510
0.8583	High Similarity	NPC117899
0.8583	High Similarity	NPC172219
0.8583	High Similarity	NPC206028
0.8571	High Similarity	NPC471530
0.8561	High Similarity	NPC230811
0.8561	High Similarity	NPC87723
0.855	High Similarity	NPC471670
0.8538	High Similarity	NPC27394
0.8538	High Similarity	NPC12070
0.8522	High Similarity	NPC228737
0.8512	High Similarity	NPC154030
0.8512	High Similarity	NPC471671
0.8512	High Similarity	NPC328694
0.8509	High Similarity	NPC117115
0.8504	High Similarity	NPC193203
0.8504	High Similarity	NPC48248
0.85	High Similarity	NPC219112
0.8487	Intermediate Similarity	NPC268160
0.8485	Intermediate Similarity	NPC277559
0.848	Intermediate Similarity	NPC474766
0.848	Intermediate Similarity	NPC173978
0.8475	Intermediate Similarity	NPC46940
0.8475	Intermediate Similarity	NPC286222
0.8473	Intermediate Similarity	NPC283088
0.8473	Intermediate Similarity	NPC249272
0.8468	Intermediate Similarity	NPC307174
0.8462	Intermediate Similarity	NPC53896
0.8462	Intermediate Similarity	NPC49742
0.8462	Intermediate Similarity	NPC114183
0.845	Intermediate Similarity	NPC72669
0.845	Intermediate Similarity	NPC291001
0.845	Intermediate Similarity	NPC244699
0.845	Intermediate Similarity	NPC18798
0.845	Intermediate Similarity	NPC474517
0.845	Intermediate Similarity	NPC243305
0.845	Intermediate Similarity	NPC239134
0.8443	Intermediate Similarity	NPC469644
0.8443	Intermediate Similarity	NPC126002
0.8438	Intermediate Similarity	NPC34414
0.8438	Intermediate Similarity	NPC146647
0.8425	Intermediate Similarity	NPC30491
0.8425	Intermediate Similarity	NPC262936
0.8417	Intermediate Similarity	NPC147179
0.8409	Intermediate Similarity	NPC472308
0.8403	Intermediate Similarity	NPC715
0.8397	Intermediate Similarity	NPC50924
0.8397	Intermediate Similarity	NPC270899
0.839	Intermediate Similarity	NPC470770
0.839	Intermediate Similarity	NPC151537
0.839	Intermediate Similarity	NPC95716
0.839	Intermediate Similarity	NPC266937
0.8385	Intermediate Similarity	NPC312560
0.8385	Intermediate Similarity	NPC58685
0.8376	Intermediate Similarity	NPC58865
0.8359	Intermediate Similarity	NPC229894
0.8359	Intermediate Similarity	NPC24869
0.8347	Intermediate Similarity	NPC477453
0.8347	Intermediate Similarity	NPC308828
0.8347	Intermediate Similarity	NPC92
0.8347	Intermediate Similarity	NPC469663
0.8346	Intermediate Similarity	NPC15837
0.8346	Intermediate Similarity	NPC49911
0.8346	Intermediate Similarity	NPC3224
0.8333	Intermediate Similarity	NPC142956
0.8333	Intermediate Similarity	NPC152525
0.8333	Intermediate Similarity	NPC164014
0.8333	Intermediate Similarity	NPC68756
0.8321	Intermediate Similarity	NPC476282
0.8321	Intermediate Similarity	NPC115458
0.8321	Intermediate Similarity	NPC475627
0.8321	Intermediate Similarity	NPC475346
0.8321	Intermediate Similarity	NPC475457
0.8321	Intermediate Similarity	NPC18982
0.8321	Intermediate Similarity	NPC59459
0.832	Intermediate Similarity	NPC164947
0.8319	Intermediate Similarity	NPC62867
0.8319	Intermediate Similarity	NPC177962
0.8309	Intermediate Similarity	NPC201297
0.8308	Intermediate Similarity	NPC41847
0.8308	Intermediate Similarity	NPC164295
0.8308	Intermediate Similarity	NPC85342
0.8308	Intermediate Similarity	NPC17083
0.8306	Intermediate Similarity	NPC21216
0.8306	Intermediate Similarity	NPC190971
0.8305	Intermediate Similarity	NPC132720
0.8296	Intermediate Similarity	NPC471853
0.8295	Intermediate Similarity	NPC25736
0.8295	Intermediate Similarity	NPC99731
0.8291	Intermediate Similarity	NPC68260
0.8291	Intermediate Similarity	NPC11554
0.8291	Intermediate Similarity	NPC279887
0.8281	Intermediate Similarity	NPC19432
0.8279	Intermediate Similarity	NPC16030
0.8271	Intermediate Similarity	NPC191976
0.8271	Intermediate Similarity	NPC474311
0.8264	Intermediate Similarity	NPC469719
0.8258	Intermediate Similarity	NPC472262
0.8258	Intermediate Similarity	NPC293454
0.8258	Intermediate Similarity	NPC287604
0.8258	Intermediate Similarity	NPC161964
0.8254	Intermediate Similarity	NPC135062
0.8248	Intermediate Similarity	NPC478164
0.8248	Intermediate Similarity	NPC100242
0.824	Intermediate Similarity	NPC120545
0.8235	Intermediate Similarity	NPC322753
0.8235	Intermediate Similarity	NPC77772
0.8231	Intermediate Similarity	NPC27659
0.8231	Intermediate Similarity	NPC470725
0.8231	Intermediate Similarity	NPC55949
0.8226	Intermediate Similarity	NPC206778
0.8226	Intermediate Similarity	NPC285829
0.822	Intermediate Similarity	NPC26013
0.822	Intermediate Similarity	NPC282855
0.8217	Intermediate Similarity	NPC282923
0.8211	Intermediate Similarity	NPC469609
0.8203	Intermediate Similarity	NPC160499
0.8203	Intermediate Similarity	NPC269598
0.8203	Intermediate Similarity	NPC306765
0.8195	Intermediate Similarity	NPC290803
0.8195	Intermediate Similarity	NPC477596
0.8195	Intermediate Similarity	NPC43353
0.8195	Intermediate Similarity	NPC103082
0.8189	Intermediate Similarity	NPC74507
0.8189	Intermediate Similarity	NPC234890
0.8182	Intermediate Similarity	NPC4170
0.8182	Intermediate Similarity	NPC314048

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC154696 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	239
0.1-0.2	1010
0.2-0.3	1040
0.3-0.4	2388
0.4-0.5	2345
0.5-0.6	1467
0.6-0.7	555
0.7-0.8	104
0.8-0.85	11
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9153	High Similarity	NPD2932	Approved
0.8992	High Similarity	NPD3019	Approved
0.8306	Intermediate Similarity	NPD3026	Approved
0.8306	Intermediate Similarity	NPD3023	Approved
0.8293	Intermediate Similarity	NPD3025	Approved
0.8293	Intermediate Similarity	NPD3024	Approved
0.824	Intermediate Similarity	NPD1201	Approved
0.8145	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.803	Intermediate Similarity	NPD6663	Approved
0.8017	Intermediate Similarity	NPD7635	Approved
0.8	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD5736	Approved
0.8	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7984	Intermediate Similarity	NPD1470	Approved
0.792	Intermediate Similarity	NPD3091	Approved
0.7903	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7899	Intermediate Similarity	NPD2342	Discontinued
0.7857	Intermediate Similarity	NPD1651	Approved
0.7842	Intermediate Similarity	NPD8166	Discontinued
0.7842	Intermediate Similarity	NPD7003	Approved
0.781	Intermediate Similarity	NPD5406	Approved
0.781	Intermediate Similarity	NPD5408	Approved
0.781	Intermediate Similarity	NPD5404	Approved
0.781	Intermediate Similarity	NPD5405	Approved
0.7807	Intermediate Similarity	NPD1809	Phase 2
0.7801	Intermediate Similarity	NPD7390	Discontinued
0.7795	Intermediate Similarity	NPD4059	Approved
0.7795	Intermediate Similarity	NPD4626	Approved
0.7769	Intermediate Similarity	NPD1283	Approved
0.7769	Intermediate Similarity	NPD4750	Phase 3
0.7759	Intermediate Similarity	NPD3020	Approved
0.7742	Intermediate Similarity	NPD5951	Approved
0.7739	Intermediate Similarity	NPD288	Approved
0.7681	Intermediate Similarity	NPD6100	Approved
0.7681	Intermediate Similarity	NPD6099	Approved
0.7674	Intermediate Similarity	NPD3092	Approved
0.7652	Intermediate Similarity	NPD844	Approved
0.7622	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7565	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7542	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7538	Intermediate Similarity	NPD1281	Approved
0.7519	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.7519	Intermediate Similarity	NPD3095	Discontinued
0.75	Intermediate Similarity	NPD2859	Approved
0.75	Intermediate Similarity	NPD2860	Approved
0.75	Intermediate Similarity	NPD8032	Phase 2
0.7483	Intermediate Similarity	NPD3300	Phase 2
0.748	Intermediate Similarity	NPD3021	Approved
0.748	Intermediate Similarity	NPD3022	Approved
0.7478	Intermediate Similarity	NPD845	Approved
0.7444	Intermediate Similarity	NPD3094	Phase 2
0.7444	Intermediate Similarity	NPD1164	Approved
0.7442	Intermediate Similarity	NPD5691	Approved
0.7424	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7414	Intermediate Similarity	NPD2933	Approved
0.7414	Intermediate Similarity	NPD2934	Approved
0.7413	Intermediate Similarity	NPD7910	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD1751	Approved
0.7385	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD2286	Discontinued
0.7376	Intermediate Similarity	NPD2346	Discontinued
0.7348	Intermediate Similarity	NPD3972	Approved
0.7338	Intermediate Similarity	NPD4097	Suspended
0.7313	Intermediate Similarity	NPD2797	Approved
0.7308	Intermediate Similarity	NPD4093	Discontinued
0.7305	Intermediate Similarity	NPD2935	Discontinued
0.7297	Intermediate Similarity	NPD7458	Discontinued
0.7293	Intermediate Similarity	NPD1755	Approved
0.7259	Intermediate Similarity	NPD2798	Approved
0.7258	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7234	Intermediate Similarity	NPD2799	Discontinued
0.7222	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD6273	Approved
0.7209	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD3637	Approved
0.7206	Intermediate Similarity	NPD4208	Discontinued
0.7206	Intermediate Similarity	NPD3635	Approved
0.7206	Intermediate Similarity	NPD3636	Approved
0.7194	Intermediate Similarity	NPD4060	Phase 1
0.7194	Intermediate Similarity	NPD2979	Phase 3
0.7174	Intermediate Similarity	NPD3268	Approved
0.7174	Intermediate Similarity	NPD3764	Approved
0.7167	Intermediate Similarity	NPD2066	Phase 3
0.7153	Intermediate Similarity	NPD2606	Approved
0.7153	Intermediate Similarity	NPD2605	Approved
0.7143	Intermediate Similarity	NPD3495	Discontinued
0.7133	Intermediate Similarity	NPD7028	Phase 2
0.7132	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD2195	Approved
0.7132	Intermediate Similarity	NPD2194	Approved
0.7132	Intermediate Similarity	NPD4624	Approved
0.7121	Intermediate Similarity	NPD4589	Approved
0.7111	Intermediate Similarity	NPD1876	Approved
0.7111	Intermediate Similarity	NPD6696	Suspended
0.7109	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD3750	Approved
0.7101	Intermediate Similarity	NPD4625	Phase 3
0.7101	Intermediate Similarity	NPD5155	Approved
0.7101	Intermediate Similarity	NPD5156	Approved
0.7071	Intermediate Similarity	NPD3620	Phase 2
0.7071	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD4140	Approved
0.7071	Intermediate Similarity	NPD943	Approved
0.7067	Intermediate Similarity	NPD3226	Approved
0.7067	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1792	Phase 2
0.7054	Intermediate Similarity	NPD497	Approved
0.705	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD846	Approved
0.7049	Intermediate Similarity	NPD940	Approved
0.7037	Intermediate Similarity	NPD4749	Approved
0.7029	Intermediate Similarity	NPD4207	Discontinued
0.7029	Intermediate Similarity	NPD3595	Approved
0.7029	Intermediate Similarity	NPD3594	Approved
0.7023	Intermediate Similarity	NPD7610	Discontinued
0.7008	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6992	Remote Similarity	NPD1930	Approved
0.6992	Remote Similarity	NPD1929	Approved
0.6981	Remote Similarity	NPD7473	Discontinued
0.6978	Remote Similarity	NPD7008	Discontinued
0.6978	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD498	Approved
0.6977	Remote Similarity	NPD2229	Approved
0.6977	Remote Similarity	NPD496	Approved
0.6977	Remote Similarity	NPD495	Approved
0.6977	Remote Similarity	NPD2228	Approved
0.6977	Remote Similarity	NPD2234	Approved
0.6972	Remote Similarity	NPD1607	Approved
0.697	Remote Similarity	NPD5303	Approved
0.697	Remote Similarity	NPD5304	Approved
0.6966	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD4878	Approved
0.6947	Remote Similarity	NPD7340	Approved
0.6944	Remote Similarity	NPD2531	Phase 2
0.6944	Remote Similarity	NPD4476	Approved
0.6944	Remote Similarity	NPD2438	Suspended
0.6944	Remote Similarity	NPD4477	Approved
0.6943	Remote Similarity	NPD6959	Discontinued
0.6923	Remote Similarity	NPD2629	Approved
0.6918	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD2533	Approved
0.6913	Remote Similarity	NPD2532	Approved
0.6913	Remote Similarity	NPD2534	Approved
0.6913	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD5327	Phase 3
0.6912	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD6232	Discontinued
0.6897	Remote Similarity	NPD2344	Approved
0.6891	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6883	Remote Similarity	NPD7819	Suspended
0.6875	Remote Similarity	NPD7743	Approved
0.6875	Remote Similarity	NPD7742	Approved
0.6875	Remote Similarity	NPD651	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD4628	Phase 3
0.687	Remote Similarity	NPD255	Approved
0.687	Remote Similarity	NPD256	Approved
0.6866	Remote Similarity	NPD1778	Approved
0.6857	Remote Similarity	NPD7095	Approved
0.6855	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6853	Remote Similarity	NPD6651	Approved
0.685	Remote Similarity	NPD74	Approved
0.685	Remote Similarity	NPD9266	Approved
0.6846	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD1398	Phase 1
0.6846	Remote Similarity	NPD1241	Discontinued
0.6842	Remote Similarity	NPD7330	Discontinued
0.6842	Remote Similarity	NPD7009	Phase 2
0.6842	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6839	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD1608	Approved
0.6835	Remote Similarity	NPD4212	Discontinued
0.6831	Remote Similarity	NPD1240	Approved
0.6829	Remote Similarity	NPD1242	Phase 1
0.6825	Remote Similarity	NPD1444	Approved
0.6825	Remote Similarity	NPD1445	Approved
0.6818	Remote Similarity	NPD9493	Approved
0.6812	Remote Similarity	NPD3266	Approved
0.6812	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD3267	Approved
0.6809	Remote Similarity	NPD2313	Discontinued
0.6807	Remote Similarity	NPD1088	Approved
0.6803	Remote Similarity	NPD2800	Approved
0.68	Remote Similarity	NPD5909	Discontinued
0.68	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD5735	Approved
0.6783	Remote Similarity	NPD6355	Discontinued
0.6783	Remote Similarity	NPD111	Approved
0.6781	Remote Similarity	NPD4725	Approved
0.6781	Remote Similarity	NPD4726	Approved
0.6781	Remote Similarity	NPD4721	Approved
0.6774	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6772	Remote Similarity	NPD9263	Approved
0.6772	Remote Similarity	NPD9264	Approved

Structure

CID154696 OpenBabel06191715522D 21 23 0 0 1 0 0 0 0 0999 V2000 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8660 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 0.8660 -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 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 0 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 5.1962 -2.0000 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 4.3301 -1.5000 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 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 6 1 0 0 0 0 5 12 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 13 1 0 0 0 0 8 16 2 0 0 0 0 9 15 2 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 6 1 1 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	50900602
ChEMBL	CHEMBL1651076
ZINC

Physicochemical Properties

Molecular Weight:	284.18
ALogP:	1.1504
MLogP:	3.33
XLogP:	4.808
# Rotatable Bonds:	6
Polar Surface Area:	37.3
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	21

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