NPASS Natural Product

Natural Product: NPC16030

Natural Product ID:	NPC16030
Common Name:	Ebractenoid F
IUPAC Name:	(4bR,7R,8aR)-7-ethenyl-1,4b,7-trimethyl-5,6,8,8a,9,10-hexahydrophenanthrene-2,3-diol
Synonyms:
Molecular Formula:	C19H26O2
Standard InCHIKey:	MKKOUGDVRDZEMO-UPRAQXHNSA-N
Standard InCHI:	InChI=1S/C19H26O2/c1-5-18(3)8-9-19(4)13(11-18)6-7-14-12(2)17(21)16(20)10-15(14)19/h5,10,13,20-21H,1,6-9,11H2,2-4H3/t13-,18-,19-/m1/s1
Canonical SMILES:	C=C[C@]1(C)CC[C@@]2([C@@H](C1)CCc1c2cc(O)c(c1C)O)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
NPO299	Euphorbia ebracteolata	Species	Euphorbiaceae	Eukaryota	roots			PMID[24660966]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	7400	nM	11602674
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	3330	nM	1708405

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 NPC16030 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	242
0.1-0.2	1338
0.2-0.3	2200
0.3-0.4	6441
0.4-0.5	7255
0.5-0.6	5872
0.6-0.7	5674
0.7-0.8	1645
0.8-0.85	153
0.85-0.9	56
0.9-0.95	13
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9478	High Similarity	NPC471794
0.9358	High Similarity	NPC141782
0.9279	High Similarity	NPC317869
0.9196	High Similarity	NPC268160
0.9189	High Similarity	NPC471179
0.9115	High Similarity	NPC147179
0.9099	High Similarity	NPC176279
0.9099	High Similarity	NPC260323
0.9035	High Similarity	NPC308828
0.9035	High Similarity	NPC219112
0.9027	High Similarity	NPC195922
0.9018	High Similarity	NPC250323
0.9009	High Similarity	NPC13482
0.8966	High Similarity	NPC176893
0.8947	High Similarity	NPC192948
0.8947	High Similarity	NPC35797
0.8929	High Similarity	NPC95716
0.8879	High Similarity	NPC469609
0.887	High Similarity	NPC308311
0.887	High Similarity	NPC38893
0.887	High Similarity	NPC477137
0.887	High Similarity	NPC471668
0.885	High Similarity	NPC46940
0.8829	High Similarity	NPC11554
0.8824	High Similarity	NPC321402
0.8818	High Similarity	NPC477814
0.8793	High Similarity	NPC477136
0.8793	High Similarity	NPC304510
0.8793	High Similarity	NPC172219
0.8772	High Similarity	NPC715
0.877	High Similarity	NPC476536
0.8761	High Similarity	NPC77772
0.8761	High Similarity	NPC322753
0.875	High Similarity	NPC254833
0.875	High Similarity	NPC53567
0.875	High Similarity	NPC228343
0.8739	High Similarity	NPC151477
0.8729	High Similarity	NPC135467
0.8729	High Similarity	NPC260832
0.8729	High Similarity	NPC475245
0.8718	High Similarity	NPC471671
0.8707	High Similarity	NPC92
0.8707	High Similarity	NPC469663
0.8699	High Similarity	NPC201069
0.8696	High Similarity	NPC471534
0.8678	High Similarity	NPC224342
0.8678	High Similarity	NPC15127
0.8661	High Similarity	NPC233835
0.8644	High Similarity	NPC126002
0.8644	High Similarity	NPC469644
0.8644	High Similarity	NPC93071
0.864	High Similarity	NPC243305
0.8636	High Similarity	NPC120719
0.8621	High Similarity	NPC469719
0.8596	High Similarity	NPC470770
0.8596	High Similarity	NPC266937
0.8584	High Similarity	NPC58865
0.8583	High Similarity	NPC474115
0.8583	High Similarity	NPC237667
0.8583	High Similarity	NPC253627
0.8559	High Similarity	NPC239291
0.8559	High Similarity	NPC117115
0.8547	High Similarity	NPC141001
0.8522	High Similarity	NPC228425
0.8522	High Similarity	NPC62867
0.8522	High Similarity	NPC177962
0.8504	High Similarity	NPC476282
0.85	High Similarity	NPC259703
0.85	High Similarity	NPC32322
0.8492	Intermediate Similarity	NPC291001
0.8492	Intermediate Similarity	NPC312341
0.8482	Intermediate Similarity	NPC271274
0.8482	Intermediate Similarity	NPC21594
0.8468	Intermediate Similarity	NPC471077
0.8455	Intermediate Similarity	NPC29008
0.8455	Intermediate Similarity	NPC228771
0.8455	Intermediate Similarity	NPC266705
0.8443	Intermediate Similarity	NPC198014
0.8435	Intermediate Similarity	NPC151537
0.843	Intermediate Similarity	NPC77569
0.843	Intermediate Similarity	NPC249340
0.843	Intermediate Similarity	NPC162935
0.843	Intermediate Similarity	NPC142198
0.8421	Intermediate Similarity	NPC314187
0.8413	Intermediate Similarity	NPC99795
0.8407	Intermediate Similarity	NPC320439
0.8403	Intermediate Similarity	NPC48342
0.8403	Intermediate Similarity	NPC164649
0.8403	Intermediate Similarity	NPC154030
0.8378	Intermediate Similarity	NPC196479
0.8372	Intermediate Similarity	NPC103082
0.8372	Intermediate Similarity	NPC153088
0.8364	Intermediate Similarity	NPC225506
0.8364	Intermediate Similarity	NPC211885
0.8361	Intermediate Similarity	NPC11250
0.8361	Intermediate Similarity	NPC176208
0.8359	Intermediate Similarity	NPC227719
0.8359	Intermediate Similarity	NPC111845
0.8348	Intermediate Similarity	NPC296683
0.8348	Intermediate Similarity	NPC132720
0.8347	Intermediate Similarity	NPC24125
0.8347	Intermediate Similarity	NPC241001
0.8347	Intermediate Similarity	NPC328504
0.8346	Intermediate Similarity	NPC78575
0.8333	Intermediate Similarity	NPC42657
0.8333	Intermediate Similarity	NPC191866
0.8333	Intermediate Similarity	NPC217174
0.8319	Intermediate Similarity	NPC299180
0.8319	Intermediate Similarity	NPC277588
0.8306	Intermediate Similarity	NPC87985
0.8306	Intermediate Similarity	NPC9067
0.8304	Intermediate Similarity	NPC471511
0.8295	Intermediate Similarity	NPC293454
0.8293	Intermediate Similarity	NPC471187
0.8291	Intermediate Similarity	NPC322239
0.8281	Intermediate Similarity	NPC59239
0.8279	Intermediate Similarity	NPC154696
0.8279	Intermediate Similarity	NPC39029
0.8273	Intermediate Similarity	NPC122005
0.8273	Intermediate Similarity	NPC252821
0.8264	Intermediate Similarity	NPC318552
0.8264	Intermediate Similarity	NPC190501
0.8264	Intermediate Similarity	NPC99734
0.8261	Intermediate Similarity	NPC62258
0.8261	Intermediate Similarity	NPC55617
0.8254	Intermediate Similarity	NPC307050
0.8254	Intermediate Similarity	NPC277458
0.825	Intermediate Similarity	NPC206
0.825	Intermediate Similarity	NPC144343
0.8244	Intermediate Similarity	NPC277559
0.8244	Intermediate Similarity	NPC49911
0.8235	Intermediate Similarity	NPC474358
0.8235	Intermediate Similarity	NPC257540
0.8235	Intermediate Similarity	NPC474387
0.8235	Intermediate Similarity	NPC154511
0.8235	Intermediate Similarity	NPC247858
0.8235	Intermediate Similarity	NPC137496
0.823	Intermediate Similarity	NPC138942
0.8226	Intermediate Similarity	NPC181334
0.822	Intermediate Similarity	NPC107240
0.822	Intermediate Similarity	NPC120280
0.8217	Intermediate Similarity	NPC138472
0.8214	Intermediate Similarity	NPC168829
0.8211	Intermediate Similarity	NPC30462
0.8211	Intermediate Similarity	NPC121168
0.819	Intermediate Similarity	NPC120982
0.819	Intermediate Similarity	NPC79793
0.819	Intermediate Similarity	NPC174096
0.819	Intermediate Similarity	NPC226401
0.819	Intermediate Similarity	NPC147634
0.8182	Intermediate Similarity	NPC151197
0.8182	Intermediate Similarity	NPC77492
0.8182	Intermediate Similarity	NPC109955
0.8168	Intermediate Similarity	NPC68292
0.8167	Intermediate Similarity	NPC278652
0.816	Intermediate Similarity	NPC137750
0.8151	Intermediate Similarity	NPC246760
0.8151	Intermediate Similarity	NPC474486
0.8151	Intermediate Similarity	NPC84999
0.8142	Intermediate Similarity	NPC238696
0.8142	Intermediate Similarity	NPC288411
0.814	Intermediate Similarity	NPC303144
0.814	Intermediate Similarity	NPC321502
0.814	Intermediate Similarity	NPC228843
0.8136	Intermediate Similarity	NPC471485
0.813	Intermediate Similarity	NPC475166
0.8125	Intermediate Similarity	NPC252105
0.8125	Intermediate Similarity	NPC51015
0.812	Intermediate Similarity	NPC187583
0.812	Intermediate Similarity	NPC179002
0.812	Intermediate Similarity	NPC257430
0.8108	Intermediate Similarity	NPC92730
0.8108	Intermediate Similarity	NPC33675
0.8108	Intermediate Similarity	NPC299762
0.8095	Intermediate Similarity	NPC71610
0.8095	Intermediate Similarity	NPC43000
0.8095	Intermediate Similarity	NPC100414
0.8095	Intermediate Similarity	NPC325294
0.8095	Intermediate Similarity	NPC321822
0.8092	Intermediate Similarity	NPC313081
0.8092	Intermediate Similarity	NPC241241
0.8083	Intermediate Similarity	NPC261973
0.8077	Intermediate Similarity	NPC474453
0.807	Intermediate Similarity	NPC99557
0.807	Intermediate Similarity	NPC47284
0.807	Intermediate Similarity	NPC219286
0.8067	Intermediate Similarity	NPC249270
0.8065	Intermediate Similarity	NPC478058
0.8065	Intermediate Similarity	NPC297057
0.8065	Intermediate Similarity	NPC152946
0.8053	Intermediate Similarity	NPC269212
0.8047	Intermediate Similarity	NPC276238
0.8047	Intermediate Similarity	NPC470747
0.8036	Intermediate Similarity	NPC72729
0.8036	Intermediate Similarity	NPC223393
0.8034	Intermediate Similarity	NPC44732
0.8033	Intermediate Similarity	NPC310338
0.8033	Intermediate Similarity	NPC323074
0.8033	Intermediate Similarity	NPC281298
0.8031	Intermediate Similarity	NPC108164

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC16030 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	268
0.1-0.2	1051
0.2-0.3	1170
0.3-0.4	2806
0.4-0.5	2108
0.5-0.6	1211
0.6-0.7	425
0.7-0.8	108
0.8-0.85	12
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.875	High Similarity	NPD3021	Approved
0.875	High Similarity	NPD3022	Approved
0.843	Intermediate Similarity	NPD3092	Approved
0.8403	Intermediate Similarity	NPD3091	Approved
0.8264	Intermediate Similarity	NPD3019	Approved
0.8264	Intermediate Similarity	NPD4059	Approved
0.8246	Intermediate Similarity	NPD2342	Discontinued
0.8205	Intermediate Similarity	NPD7635	Approved
0.816	Intermediate Similarity	NPD3094	Phase 2
0.814	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.814	Intermediate Similarity	NPD3620	Phase 2
0.8115	Intermediate Similarity	NPD2932	Approved
0.8108	Intermediate Similarity	NPD3020	Approved
0.8	Intermediate Similarity	NPD1809	Phase 2
0.7967	Intermediate Similarity	NPD3095	Discontinued
0.7928	Intermediate Similarity	NPD288	Approved
0.7909	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7876	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD2859	Approved
0.7838	Intermediate Similarity	NPD2860	Approved
0.7838	Intermediate Similarity	NPD844	Approved
0.7818	Intermediate Similarity	NPD845	Approved
0.7752	Intermediate Similarity	NPD5736	Approved
0.7748	Intermediate Similarity	NPD2933	Approved
0.7748	Intermediate Similarity	NPD2934	Approved
0.7742	Intermediate Similarity	NPD4093	Discontinued
0.7717	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.768	Intermediate Similarity	NPD2286	Discontinued
0.768	Intermediate Similarity	NPD1751	Approved
0.7647	Intermediate Similarity	NPD4750	Phase 3
0.7619	Intermediate Similarity	NPD3026	Approved
0.7619	Intermediate Similarity	NPD3023	Approved
0.7612	Intermediate Similarity	NPD4097	Suspended
0.7609	Intermediate Similarity	NPD8166	Discontinued
0.76	Intermediate Similarity	NPD3025	Approved
0.76	Intermediate Similarity	NPD3024	Approved
0.7571	Intermediate Similarity	NPD2421	Approved
0.7571	Intermediate Similarity	NPD2420	Approved
0.7557	Intermediate Similarity	NPD2606	Approved
0.7557	Intermediate Similarity	NPD2605	Approved
0.7538	Intermediate Similarity	NPD4624	Approved
0.7521	Intermediate Similarity	NPD228	Approved
0.7519	Intermediate Similarity	NPD6663	Approved
0.7518	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5156	Approved
0.75	Intermediate Similarity	NPD5155	Approved
0.7481	Intermediate Similarity	NPD3636	Approved
0.7481	Intermediate Similarity	NPD3635	Approved
0.7481	Intermediate Similarity	NPD3637	Approved
0.7463	Intermediate Similarity	NPD4060	Phase 1
0.7444	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7424	Intermediate Similarity	NPD3595	Approved
0.7424	Intermediate Similarity	NPD3594	Approved
0.7407	Intermediate Similarity	NPD5735	Approved
0.7405	Intermediate Similarity	NPD2195	Approved
0.7405	Intermediate Similarity	NPD2194	Approved
0.7402	Intermediate Similarity	NPD4626	Approved
0.7402	Intermediate Similarity	NPD4589	Approved
0.7398	Intermediate Similarity	NPD5283	Phase 1
0.7398	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD3645	Discontinued
0.7394	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.736	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD1792	Phase 2
0.735	Intermediate Similarity	NPD940	Approved
0.735	Intermediate Similarity	NPD846	Approved
0.7317	Intermediate Similarity	NPD9379	Approved
0.7317	Intermediate Similarity	NPD9377	Approved
0.7308	Intermediate Similarity	NPD5327	Phase 3
0.7287	Intermediate Similarity	NPD1201	Approved
0.7266	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD2229	Approved
0.7258	Intermediate Similarity	NPD2234	Approved
0.7258	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD2228	Approved
0.7252	Intermediate Similarity	NPD6696	Suspended
0.7246	Intermediate Similarity	NPD7742	Approved
0.7246	Intermediate Similarity	NPD7743	Approved
0.7244	Intermediate Similarity	NPD5303	Approved
0.7244	Intermediate Similarity	NPD5304	Approved
0.7239	Intermediate Similarity	NPD4625	Phase 3
0.7206	Intermediate Similarity	NPD4140	Approved
0.72	Intermediate Similarity	NPD497	Approved
0.7197	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD3055	Approved
0.7197	Intermediate Similarity	NPD3053	Approved
0.7194	Intermediate Similarity	NPD1632	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3657	Discovery
0.7143	Intermediate Similarity	NPD4726	Approved
0.7143	Intermediate Similarity	NPD4725	Approved
0.7143	Intermediate Similarity	NPD4721	Approved
0.7133	Intermediate Similarity	NPD2422	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD3845	Phase 1
0.7121	Intermediate Similarity	NPD5311	Approved
0.7121	Intermediate Similarity	NPD5310	Approved
0.712	Intermediate Similarity	NPD498	Approved
0.712	Intermediate Similarity	NPD495	Approved
0.712	Intermediate Similarity	NPD496	Approved
0.7119	Intermediate Similarity	NPD1242	Phase 1
0.7111	Intermediate Similarity	NPD3027	Phase 3
0.7109	Intermediate Similarity	NPD2226	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD1445	Approved
0.7107	Intermediate Similarity	NPD1444	Approved
0.7101	Intermediate Similarity	NPD6353	Approved
0.7091	Intermediate Similarity	NPD111	Approved
0.709	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD7340	Approved
0.7068	Intermediate Similarity	NPD1470	Approved
0.7059	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD5691	Approved
0.7045	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD3638	Discontinued
0.7042	Intermediate Similarity	NPD6674	Discontinued
0.7016	Intermediate Similarity	NPD9280	Clinical (unspecified phase)
0.7015	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD6671	Approved
0.7	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD7003	Approved
0.6992	Remote Similarity	NPD1283	Approved
0.6985	Remote Similarity	NPD7095	Approved
0.6984	Remote Similarity	NPD1398	Phase 1
0.6977	Remote Similarity	NPD7330	Discontinued
0.6963	Remote Similarity	NPD2861	Phase 2
0.6957	Remote Similarity	NPD1613	Approved
0.6957	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.695	Remote Similarity	NPD5404	Approved
0.695	Remote Similarity	NPD5406	Approved
0.695	Remote Similarity	NPD5408	Approved
0.695	Remote Similarity	NPD5405	Approved
0.6944	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD1651	Approved
0.6923	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6917	Remote Similarity	NPD4749	Approved
0.6912	Remote Similarity	NPD4908	Phase 1
0.6884	Remote Similarity	NPD8032	Phase 2
0.6879	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD7157	Approved
0.687	Remote Similarity	NPD9381	Approved
0.687	Remote Similarity	NPD9384	Approved
0.6866	Remote Similarity	NPD8651	Approved
0.6849	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD7041	Phase 2
0.6842	Remote Similarity	NPD2233	Approved
0.6842	Remote Similarity	NPD2337	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD2232	Approved
0.6842	Remote Similarity	NPD2230	Approved
0.6835	Remote Similarity	NPD943	Approved
0.6833	Remote Similarity	NPD3028	Approved
0.6818	Remote Similarity	NPD3143	Discontinued
0.6815	Remote Similarity	NPD2489	Approved
0.6815	Remote Similarity	NPD27	Approved
0.6809	Remote Similarity	NPD7718	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD1791	Approved
0.6797	Remote Similarity	NPD1793	Approved
0.6797	Remote Similarity	NPD5951	Approved
0.6794	Remote Similarity	NPD1357	Approved
0.6791	Remote Similarity	NPD1669	Approved
0.6791	Remote Similarity	NPD9622	Approved
0.6781	Remote Similarity	NPD3300	Phase 2
0.6767	Remote Similarity	NPD1610	Phase 2
0.6767	Remote Similarity	NPD1281	Approved
0.6765	Remote Similarity	NPD6584	Phase 3
0.6765	Remote Similarity	NPD258	Approved
0.6765	Remote Similarity	NPD257	Approved
0.6753	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6753	Remote Similarity	NPD7833	Phase 2
0.6753	Remote Similarity	NPD7831	Phase 2
0.6744	Remote Similarity	NPD709	Approved
0.6742	Remote Similarity	NPD5238	Clinical (unspecified phase)
0.6741	Remote Similarity	NPD9634	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD7037	Approved
0.6736	Remote Similarity	NPD4256	Phase 2
0.6736	Remote Similarity	NPD4257	Approved
0.6735	Remote Similarity	NPD7390	Discontinued
0.6721	Remote Similarity	NPD9500	Approved
0.672	Remote Similarity	NPD2684	Approved
0.6716	Remote Similarity	NPD3070	Discontinued
0.6714	Remote Similarity	NPD3062	Approved
0.6714	Remote Similarity	NPD3059	Approved
0.6714	Remote Similarity	NPD3061	Approved
0.6714	Remote Similarity	NPD3109	Approved
0.6714	Remote Similarity	NPD3110	Approved
0.6713	Remote Similarity	NPD6100	Approved
0.6713	Remote Similarity	NPD6099	Approved
0.671	Remote Similarity	NPD6234	Discontinued
0.6692	Remote Similarity	NPD2688	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD7636	Approved
0.6692	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD5111	Phase 2
0.6691	Remote Similarity	NPD5110	Phase 2
0.6691	Remote Similarity	NPD5109	Approved

Structure

NPC16030 OpenBabel07101719142D 21 23 0 0 1 0 0 0 0 0999 V2000 5.5549 3.7247 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 5.1235 1.8912 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 4.5889 3.4659 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 0.8660 2.5000 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 3.4641 1.0000 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 3.4641 3.0000 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 2.5981 2.5000 0.0000 C 0 0 2 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 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 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 4.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 2 12 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 6 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 3 1 1 0 0 0 19 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	72793015
ChEMBL	CHEMBL3234204
ZINC

Physicochemical Properties

Molecular Weight:	286.19
ALogP:	1.4312
MLogP:	3.33
XLogP:	6.394
# Rotatable Bonds:	6
Polar Surface Area:	40.46
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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