NPASS Natural Product

Natural Product: NPC75432

Natural Product ID:	NPC75432
Common Name:	12-Methoxy-13-Methyl-Ent-Podocarp-6,8,11,13-Tetraen-3-One
IUPAC Name:	(4aR,10aS)-6-methoxy-1,1,4a,7-tetramethyl-4,10a-dihydro-3H-phenanthren-2-one
Synonyms:
Molecular Formula:	C19H24O2
Standard InCHIKey:	USPLRJUDIZISBN-APWZRJJASA-N
Standard InCHI:	InChI=1S/C19H24O2/c1-12-10-13-6-7-16-18(2,3)17(20)8-9-19(16,4)14(13)11-15(12)21-5/h6-7,10-11,16H,8-9H2,1-5H3/t16-,19+/m1/s1
Canonical SMILES:	COc1cc2c(cc1C)C=C[C@H]1[C@@]2(C)CCC(=O)C1(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
NPO8960	Flueggea virosa	Species	Phyllanthaceae	Eukaryota	roots	Pingtung County, Taiwan	2011-SEP	PMID[24400834]
NPO670	Hyrtios gumminae	Species	Thorectidae	Eukaryota				UNPD*
NPO8960	Flueggea virosa	Species	Phyllanthaceae	Eukaryota				UNPD*
NPO1253	Nasturtium officinale	Species	Brassicaceae	Eukaryota				UNPD*

Biological Activity

Activity Type	# Activity
EC50	1
IC50	1
Others	1

Activity Type	# Activity
Organism	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Ratio IC50/EC50	=	1.7		24400834
NPT2	Others	Unspecified		IC50	=	81800	nM	24400834
NPT191	Organism	Hepatitis C virus	Hepatitis C virus	EC50	=	47300	nM	24400834

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 NPC75432 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	262
0.1-0.2	1250
0.2-0.3	1871
0.3-0.4	5039
0.4-0.5	7700
0.5-0.6	3830
0.6-0.7	8264
0.7-0.8	2552
0.8-0.85	96
0.85-0.9	21
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.928	High Similarity	NPC239134
0.9231	High Similarity	NPC312105
0.9127	High Similarity	NPC164295
0.9055	High Similarity	NPC183103
0.8968	High Similarity	NPC206028
0.8923	High Similarity	NPC471670
0.888	High Similarity	NPC474737
0.8862	High Similarity	NPC152946
0.8852	High Similarity	NPC32322
0.8852	High Similarity	NPC259703
0.8803	High Similarity	NPC470723
0.8769	High Similarity	NPC213122
0.875	High Similarity	NPC470725
0.8712	High Similarity	NPC290601
0.8678	High Similarity	NPC25648
0.8651	High Similarity	NPC76119
0.8651	High Similarity	NPC4286
0.8629	High Similarity	NPC154696
0.8626	High Similarity	NPC27394
0.8615	High Similarity	NPC312560
0.8615	High Similarity	NPC165612
0.8571	High Similarity	NPC111088
0.8571	High Similarity	NPC186647
0.856	High Similarity	NPC121168
0.8516	High Similarity	NPC428300
0.8492	Intermediate Similarity	NPC471187
0.8443	Intermediate Similarity	NPC33900
0.8425	Intermediate Similarity	NPC181334
0.8421	Intermediate Similarity	NPC22644
0.8413	Intermediate Similarity	NPC176208
0.8413	Intermediate Similarity	NPC11250
0.8409	Intermediate Similarity	NPC470406
0.84	Intermediate Similarity	NPC241001
0.8397	Intermediate Similarity	NPC258073
0.8397	Intermediate Similarity	NPC279596
0.8394	Intermediate Similarity	NPC201297
0.8385	Intermediate Similarity	NPC57552
0.8361	Intermediate Similarity	NPC283169
0.8359	Intermediate Similarity	NPC232387
0.8346	Intermediate Similarity	NPC198014
0.8333	Intermediate Similarity	NPC162935
0.8333	Intermediate Similarity	NPC253627
0.8333	Intermediate Similarity	NPC249340
0.8321	Intermediate Similarity	NPC249425
0.8321	Intermediate Similarity	NPC475102
0.832	Intermediate Similarity	NPC478121
0.8309	Intermediate Similarity	NPC470407
0.8296	Intermediate Similarity	NPC470721
0.8296	Intermediate Similarity	NPC6100
0.8296	Intermediate Similarity	NPC156888
0.8296	Intermediate Similarity	NPC470722
0.8295	Intermediate Similarity	NPC177925
0.8295	Intermediate Similarity	NPC474264
0.8295	Intermediate Similarity	NPC71610
0.8284	Intermediate Similarity	NPC252343
0.8273	Intermediate Similarity	NPC290038
0.8254	Intermediate Similarity	NPC129176
0.8244	Intermediate Similarity	NPC131684
0.8235	Intermediate Similarity	NPC475104
0.8231	Intermediate Similarity	NPC72667
0.8231	Intermediate Similarity	NPC186889
0.8227	Intermediate Similarity	NPC478163
0.8222	Intermediate Similarity	NPC474610
0.8217	Intermediate Similarity	NPC137750
0.8217	Intermediate Similarity	NPC87985
0.8209	Intermediate Similarity	NPC1249
0.8203	Intermediate Similarity	NPC182646
0.8182	Intermediate Similarity	NPC253488
0.8175	Intermediate Similarity	NPC103916
0.8175	Intermediate Similarity	NPC190501
0.8175	Intermediate Similarity	NPC318552
0.8168	Intermediate Similarity	NPC181675
0.8168	Intermediate Similarity	NPC223912
0.8162	Intermediate Similarity	NPC98804
0.8154	Intermediate Similarity	NPC254492
0.8148	Intermediate Similarity	NPC95485
0.8148	Intermediate Similarity	NPC89504
0.8148	Intermediate Similarity	NPC88065
0.8143	Intermediate Similarity	NPC472836
0.8143	Intermediate Similarity	NPC309169
0.8143	Intermediate Similarity	NPC196941
0.814	Intermediate Similarity	NPC199273
0.814	Intermediate Similarity	NPC56332
0.8125	Intermediate Similarity	NPC473464
0.8125	Intermediate Similarity	NPC476332
0.812	Intermediate Similarity	NPC298224
0.812	Intermediate Similarity	NPC24327
0.812	Intermediate Similarity	NPC12870
0.8115	Intermediate Similarity	NPC250323
0.811	Intermediate Similarity	NPC21216
0.811	Intermediate Similarity	NPC212559
0.8106	Intermediate Similarity	NPC276238
0.8106	Intermediate Similarity	NPC171460
0.8102	Intermediate Similarity	NPC233707
0.8102	Intermediate Similarity	NPC265335
0.8095	Intermediate Similarity	NPC42657
0.8092	Intermediate Similarity	NPC78364
0.8092	Intermediate Similarity	NPC176130
0.8092	Intermediate Similarity	NPC69424
0.8092	Intermediate Similarity	NPC84672
0.8088	Intermediate Similarity	NPC21797
0.8088	Intermediate Similarity	NPC194847
0.808	Intermediate Similarity	NPC477136
0.8074	Intermediate Similarity	NPC209858
0.8074	Intermediate Similarity	NPC324117
0.806	Intermediate Similarity	NPC474340
0.806	Intermediate Similarity	NPC251549
0.8051	Intermediate Similarity	NPC38209
0.8047	Intermediate Similarity	NPC475839
0.8043	Intermediate Similarity	NPC76312
0.8042	Intermediate Similarity	NPC95526
0.8031	Intermediate Similarity	NPC135467
0.8031	Intermediate Similarity	NPC168050
0.8031	Intermediate Similarity	NPC260832
0.803	Intermediate Similarity	NPC96024
0.803	Intermediate Similarity	NPC201069
0.8029	Intermediate Similarity	NPC471542
0.8016	Intermediate Similarity	NPC171023
0.8014	Intermediate Similarity	NPC308006
0.8014	Intermediate Similarity	NPC260152
0.8	Intermediate Similarity	NPC59459
0.7986	Intermediate Similarity	NPC472298
0.7985	Intermediate Similarity	NPC301717
0.7985	Intermediate Similarity	NPC471851
0.7984	Intermediate Similarity	NPC30462
0.7972	Intermediate Similarity	NPC52692
0.7958	Intermediate Similarity	NPC49282
0.7956	Intermediate Similarity	NPC475549
0.7955	Intermediate Similarity	NPC45537
0.7953	Intermediate Similarity	NPC473974
0.7953	Intermediate Similarity	NPC258366
0.7953	Intermediate Similarity	NPC31296
0.7953	Intermediate Similarity	NPC79933
0.7951	Intermediate Similarity	NPC13482
0.7943	Intermediate Similarity	NPC224884
0.7943	Intermediate Similarity	NPC53016
0.7943	Intermediate Similarity	NPC209085
0.7943	Intermediate Similarity	NPC167663
0.7943	Intermediate Similarity	NPC251372
0.7939	Intermediate Similarity	NPC470726
0.7939	Intermediate Similarity	NPC105031
0.7937	Intermediate Similarity	NPC469954
0.792	Intermediate Similarity	NPC192948
0.792	Intermediate Similarity	NPC35797
0.792	Intermediate Similarity	NPC47194
0.7917	Intermediate Similarity	NPC472841
0.7917	Intermediate Similarity	NPC30416
0.7914	Intermediate Similarity	NPC1268
0.7914	Intermediate Similarity	NPC79372
0.7914	Intermediate Similarity	NPC223336
0.7914	Intermediate Similarity	NPC476191
0.791	Intermediate Similarity	NPC108129
0.791	Intermediate Similarity	NPC196193
0.7903	Intermediate Similarity	NPC109241
0.7903	Intermediate Similarity	NPC35344
0.7903	Intermediate Similarity	NPC141003
0.7902	Intermediate Similarity	NPC58752
0.7899	Intermediate Similarity	NPC241224
0.7899	Intermediate Similarity	NPC301341
0.7895	Intermediate Similarity	NPC59502
0.7895	Intermediate Similarity	NPC3009
0.7891	Intermediate Similarity	NPC77000
0.7891	Intermediate Similarity	NPC238861
0.7887	Intermediate Similarity	NPC471451
0.7887	Intermediate Similarity	NPC189650
0.7886	Intermediate Similarity	NPC176279
0.7886	Intermediate Similarity	NPC260323
0.7883	Intermediate Similarity	NPC22222
0.7883	Intermediate Similarity	NPC281513
0.7883	Intermediate Similarity	NPC152209
0.7879	Intermediate Similarity	NPC470724
0.7879	Intermediate Similarity	NPC128321
0.7874	Intermediate Similarity	NPC63010
0.7868	Intermediate Similarity	NPC78307
0.7868	Intermediate Similarity	NPC49742
0.7868	Intermediate Similarity	NPC477139
0.7863	Intermediate Similarity	NPC470162
0.7863	Intermediate Similarity	NPC470163
0.7863	Intermediate Similarity	NPC474766
0.7862	Intermediate Similarity	NPC329933
0.7857	Intermediate Similarity	NPC308311
0.7857	Intermediate Similarity	NPC82336
0.7857	Intermediate Similarity	NPC19290
0.7857	Intermediate Similarity	NPC219112
0.7857	Intermediate Similarity	NPC38893
0.7857	Intermediate Similarity	NPC471668
0.7857	Intermediate Similarity	NPC477137
0.7857	Intermediate Similarity	NPC78987
0.7857	Intermediate Similarity	NPC472523
0.7852	Intermediate Similarity	NPC477412
0.7852	Intermediate Similarity	NPC476847
0.7847	Intermediate Similarity	NPC470757
0.7846	Intermediate Similarity	NPC282577
0.7846	Intermediate Similarity	NPC49441
0.7842	Intermediate Similarity	NPC307883
0.784	Intermediate Similarity	NPC195922
0.784	Intermediate Similarity	NPC268160
0.784	Intermediate Similarity	NPC221275
0.7838	Intermediate Similarity	NPC478161
0.7838	Intermediate Similarity	NPC478159

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC75432 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	288
0.1-0.2	1042
0.2-0.3	1007
0.3-0.4	2330
0.4-0.5	2293
0.5-0.6	1276
0.6-0.7	756
0.7-0.8	150
0.8-0.85	15
0.85-0.9	3
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.916	High Similarity	NPD1651	Approved
0.878	High Similarity	NPD1281	Approved
0.8571	High Similarity	NPD1283	Approved
0.8538	High Similarity	NPD8032	Phase 2
0.8387	Intermediate Similarity	NPD5691	Approved
0.8333	Intermediate Similarity	NPD2979	Phase 3
0.832	Intermediate Similarity	NPD4626	Approved
0.832	Intermediate Similarity	NPD2932	Approved
0.8268	Intermediate Similarity	NPD3972	Approved
0.824	Intermediate Similarity	NPD3024	Approved
0.824	Intermediate Similarity	NPD3025	Approved
0.8188	Intermediate Similarity	NPD7003	Approved
0.8175	Intermediate Similarity	NPD3019	Approved
0.811	Intermediate Similarity	NPD3023	Approved
0.811	Intermediate Similarity	NPD3026	Approved
0.8062	Intermediate Similarity	NPD5327	Phase 3
0.8029	Intermediate Similarity	NPD2531	Phase 2
0.8029	Intermediate Similarity	NPD2438	Suspended
0.8	Intermediate Similarity	NPD1876	Approved
0.7941	Intermediate Similarity	NPD4097	Suspended
0.7923	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7899	Intermediate Similarity	NPD6100	Approved
0.7899	Intermediate Similarity	NPD6099	Approved
0.7891	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD4624	Approved
0.7812	Intermediate Similarity	NPD5585	Approved
0.7794	Intermediate Similarity	NPD4140	Approved
0.7769	Intermediate Similarity	NPD1611	Approved
0.776	Intermediate Similarity	NPD5283	Phase 1
0.776	Intermediate Similarity	NPD1241	Discontinued
0.7744	Intermediate Similarity	NPD2798	Approved
0.7714	Intermediate Similarity	NPD2346	Discontinued
0.7664	Intermediate Similarity	NPD4060	Phase 1
0.7655	Intermediate Similarity	NPD6273	Approved
0.7643	Intermediate Similarity	NPD4476	Approved
0.7643	Intermediate Similarity	NPD4477	Approved
0.7619	Intermediate Similarity	NPD7458	Discontinued
0.7615	Intermediate Similarity	NPD1778	Approved
0.7615	Intermediate Similarity	NPD17	Approved
0.7612	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7591	Intermediate Similarity	NPD6663	Approved
0.7571	Intermediate Similarity	NPD2799	Discontinued
0.7568	Intermediate Similarity	NPD7028	Phase 2
0.7556	Intermediate Similarity	NPD5736	Approved
0.7552	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7537	Intermediate Similarity	NPD3266	Approved
0.7537	Intermediate Similarity	NPD3267	Approved
0.7537	Intermediate Similarity	NPD2797	Approved
0.7519	Intermediate Similarity	NPD4359	Approved
0.7519	Intermediate Similarity	NPD5536	Phase 2
0.7518	Intermediate Similarity	NPD2935	Discontinued
0.7482	Intermediate Similarity	NPD6355	Discontinued
0.7482	Intermediate Similarity	NPD5735	Approved
0.7447	Intermediate Similarity	NPD3748	Approved
0.7445	Intermediate Similarity	NPD4625	Phase 3
0.7445	Intermediate Similarity	NPD7095	Approved
0.7444	Intermediate Similarity	NPD1608	Approved
0.744	Intermediate Similarity	NPD5451	Approved
0.7431	Intermediate Similarity	NPD8166	Discontinued
0.7431	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD4110	Phase 3
0.7429	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD6353	Approved
0.741	Intermediate Similarity	NPD3620	Phase 2
0.741	Intermediate Similarity	NPD3110	Approved
0.741	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD3109	Approved
0.7402	Intermediate Similarity	NPD5535	Approved
0.7391	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD6798	Discontinued
0.7391	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD3268	Approved
0.7388	Intermediate Similarity	NPD1669	Approved
0.7385	Intermediate Similarity	NPD7644	Approved
0.7383	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD3657	Discovery
0.7347	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD8651	Approved
0.7333	Intermediate Similarity	NPD6696	Suspended
0.7328	Intermediate Similarity	NPD3091	Approved
0.7303	Intermediate Similarity	NPD7819	Suspended
0.7293	Intermediate Similarity	NPD3847	Discontinued
0.7273	Intermediate Similarity	NPD2796	Approved
0.7267	Intermediate Similarity	NPD3226	Approved
0.7266	Intermediate Similarity	NPD7294	Phase 1
0.7266	Intermediate Similarity	NPD7635	Approved
0.7259	Intermediate Similarity	NPD4749	Approved
0.7255	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD7427	Discontinued
0.7241	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD1201	Approved
0.7237	Intermediate Similarity	NPD7248	Discontinued
0.7234	Intermediate Similarity	NPD4622	Approved
0.7234	Intermediate Similarity	NPD4618	Approved
0.7231	Intermediate Similarity	NPD7157	Approved
0.7231	Intermediate Similarity	NPD709	Approved
0.7231	Intermediate Similarity	NPD6387	Discontinued
0.7218	Intermediate Similarity	NPD3095	Discontinued
0.7214	Intermediate Similarity	NPD4870	Approved
0.72	Intermediate Similarity	NPD3134	Approved
0.7197	Intermediate Similarity	NPD1894	Discontinued
0.7192	Intermediate Similarity	NPD3750	Approved
0.7192	Intermediate Similarity	NPD4628	Phase 3
0.7188	Intermediate Similarity	NPD1137	Approved
0.7188	Intermediate Similarity	NPD1139	Approved
0.7185	Intermediate Similarity	NPD2230	Approved
0.7185	Intermediate Similarity	NPD2232	Approved
0.7185	Intermediate Similarity	NPD2233	Approved
0.7183	Intermediate Similarity	NPD1607	Approved
0.7176	Intermediate Similarity	NPD7340	Approved
0.7174	Intermediate Similarity	NPD2861	Phase 2
0.7172	Intermediate Similarity	NPD2897	Discontinued
0.717	Intermediate Similarity	NPD7473	Discontinued
0.7163	Intermediate Similarity	NPD4307	Phase 2
0.7143	Intermediate Similarity	NPD2313	Discontinued
0.7143	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2342	Discontinued
0.7143	Intermediate Similarity	NPD3443	Approved
0.7143	Intermediate Similarity	NPD3445	Approved
0.7143	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD3444	Approved
0.7133	Intermediate Similarity	NPD5689	Approved
0.7133	Intermediate Similarity	NPD5688	Approved
0.7132	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD1138	Approved
0.7124	Intermediate Similarity	NPD37	Approved
0.7122	Intermediate Similarity	NPD2614	Approved
0.7114	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD3092	Approved
0.7103	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD1471	Phase 3
0.7103	Intermediate Similarity	NPD5762	Approved
0.7103	Intermediate Similarity	NPD5763	Approved
0.7099	Intermediate Similarity	NPD6671	Approved
0.709	Intermediate Similarity	NPD2667	Approved
0.709	Intermediate Similarity	NPD2668	Approved
0.709	Intermediate Similarity	NPD4059	Approved
0.7089	Intermediate Similarity	NPD6232	Discontinued
0.7087	Intermediate Similarity	NPD2684	Approved
0.7083	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD4108	Discontinued
0.7077	Intermediate Similarity	NPD1398	Phase 1
0.7063	Intermediate Similarity	NPD2157	Approved
0.7059	Intermediate Similarity	NPD6873	Phase 2
0.7055	Intermediate Similarity	NPD4534	Discontinued
0.7055	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.705	Intermediate Similarity	NPD2237	Approved
0.7042	Intermediate Similarity	NPD1240	Approved
0.7037	Intermediate Similarity	NPD3496	Discontinued
0.7029	Intermediate Similarity	NPD1470	Approved
0.7025	Intermediate Similarity	NPD8127	Discontinued
0.7025	Intermediate Similarity	NPD6959	Discontinued
0.7021	Intermediate Similarity	NPD5111	Phase 2
0.7021	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7021	Intermediate Similarity	NPD5110	Phase 2
0.7021	Intermediate Similarity	NPD5109	Approved
0.7021	Intermediate Similarity	NPD7985	Registered
0.702	Intermediate Similarity	NPD3639	Approved
0.702	Intermediate Similarity	NPD3641	Approved
0.702	Intermediate Similarity	NPD3640	Phase 3
0.7015	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2533	Approved
0.7	Intermediate Similarity	NPD2534	Approved
0.7	Intermediate Similarity	NPD4908	Phase 1
0.7	Intermediate Similarity	NPD2532	Approved
0.7	Intermediate Similarity	NPD6832	Phase 2
0.6993	Remote Similarity	NPD6599	Discontinued
0.6992	Remote Similarity	NPD3020	Approved
0.6987	Remote Similarity	NPD4965	Approved
0.6987	Remote Similarity	NPD4966	Approved
0.6987	Remote Similarity	NPD4967	Phase 2
0.6986	Remote Similarity	NPD2344	Approved
0.6985	Remote Similarity	NPD1610	Phase 2
0.6981	Remote Similarity	NPD7229	Phase 3
0.6972	Remote Similarity	NPD6233	Phase 2
0.697	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD288	Approved
0.6966	Remote Similarity	NPD4308	Phase 3
0.6966	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD1510	Phase 2
0.6962	Remote Similarity	NPD5494	Approved
0.6948	Remote Similarity	NPD7193	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD495	Approved
0.6947	Remote Similarity	NPD498	Approved
0.6947	Remote Similarity	NPD496	Approved
0.6944	Remote Similarity	NPD6651	Approved
0.6939	Remote Similarity	NPD3655	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD7041	Phase 2
0.6923	Remote Similarity	NPD228	Approved
0.6923	Remote Similarity	NPD5978	Approved
0.6923	Remote Similarity	NPD5977	Approved
0.6923	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD5406	Approved
0.6918	Remote Similarity	NPD5408	Approved
0.6918	Remote Similarity	NPD5405	Approved

Structure

CID75432 OpenBabel06191715412D 21 23 0 0 1 0 0 0 0 0999 V2000 4.3301 -3.5000 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 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -5.0000 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 1.7321 -0.0000 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 -0.0000 -2.0000 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 -3.0000 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 2.5981 -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 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 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 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 2 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 2.5981 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 19 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	76310093
ChEMBL	CHEMBL3103103
ZINC

Physicochemical Properties

Molecular Weight:	284.18
ALogP:	2.0763
MLogP:	3.33
XLogP:	4.385
# Rotatable Bonds:	6
Polar Surface Area:	26.3
# H-Bond Aceptor:	1
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	21

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