NPASS Natural Product

Natural Product: NPC312256

Natural Product ID:	NPC312256
Common Name:	(E)-3-(3,4-Dihydroxy-2-Methoxyphenyl)-1-(3,4-Dihydroxyphenyl)Prop-2-En-1-One
IUPAC Name:	(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(3,4-dihydroxyphenyl)prop-2-en-1-one
Synonyms:
Molecular Formula:	C16H14O6
Standard InCHIKey:	BICPGUILWBQAEY-GORDUTHDSA-N
Standard InCHI:	InChI=1S/C16H14O6/c1-22-16-9(3-7-13(19)15(16)21)2-5-11(17)10-4-6-12(18)14(20)8-10/h2-8,18-21H,1H3/b5-2+
Canonical SMILES:	COc1c(/C=C/C(=O)c2ccc(c(c2)O)O)ccc(c1O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	UNPD*
NPO10026	Mitracarpus scaber	Species	Rubiaceae	Eukaryota	UNPD*
NPO7786	Lentinus tigrinus	Species	Lentinaceae	Eukaryota	UNPD*
NPO29384	Glycyrrhiza glabra	Species	Fabaceae	Eukaryota	TM-MC*
NPO1698	Glycyrrhiza inflata	Species	Fabaceae	Eukaryota	TM-MC*
NPO7154	Glycyrrhiza uralensis	Species	Fabaceae	Eukaryota	TM-MC*

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	10100	nM	24316124
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	92.5	%	24316124
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	-6	%	24316124

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 NPC312256 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	260
0.1-0.2	1256
0.2-0.3	2779
0.3-0.4	6762
0.4-0.5	6070
0.5-0.6	2106
0.6-0.7	3703
0.7-0.8	4862
0.8-0.85	2010
0.85-0.9	850
0.9-0.95	211
0.95-1	20

Similarity Score	Similarity Level	Natural Product ID
0.9926	High Similarity	NPC110419
0.9854	High Similarity	NPC207732
0.9712	High Similarity	NPC165389
0.971	High Similarity	NPC142165
0.964	High Similarity	NPC157133
0.9638	High Similarity	NPC254659
0.9568	High Similarity	NPC105213
0.9565	High Similarity	NPC301178
0.9565	High Similarity	NPC284556
0.9507	High Similarity	NPC264550
0.9507	High Similarity	NPC92722
0.9507	High Similarity	NPC200060
0.9507	High Similarity	NPC40290
0.9507	High Similarity	NPC195763
0.9507	High Similarity	NPC264289
0.9507	High Similarity	NPC142876
0.9507	High Similarity	NPC333691
0.9507	High Similarity	NPC69430
0.9507	High Similarity	NPC139293
0.9507	High Similarity	NPC102003
0.9496	High Similarity	NPC119663
0.9496	High Similarity	NPC287722
0.9496	High Similarity	NPC471417
0.9481	High Similarity	NPC208760
0.9441	High Similarity	NPC472279
0.9437	High Similarity	NPC194653
0.9437	High Similarity	NPC15329
0.9437	High Similarity	NPC203747
0.9437	High Similarity	NPC80710
0.9437	High Similarity	NPC287395
0.9437	High Similarity	NPC183655
0.9437	High Similarity	NPC139364
0.9437	High Similarity	NPC254702
0.9437	High Similarity	NPC131451
0.942	High Similarity	NPC50823
0.9375	High Similarity	NPC31363
0.9375	High Similarity	NPC78505
0.9366	High Similarity	NPC119660
0.9366	High Similarity	NPC188074
0.9366	High Similarity	NPC93034
0.9366	High Similarity	NPC125449
0.931	High Similarity	NPC39732
0.931	High Similarity	NPC60972
0.931	High Similarity	NPC35763
0.931	High Similarity	NPC121522
0.931	High Similarity	NPC257648
0.931	High Similarity	NPC245382
0.931	High Similarity	NPC100263
0.931	High Similarity	NPC216769
0.931	High Similarity	NPC100971
0.931	High Similarity	NPC131266
0.931	High Similarity	NPC291802
0.931	High Similarity	NPC209487
0.931	High Similarity	NPC477231
0.931	High Similarity	NPC181209
0.931	High Similarity	NPC269451
0.9306	High Similarity	NPC29231
0.9301	High Similarity	NPC474903
0.9296	High Similarity	NPC12377
0.9247	High Similarity	NPC124714
0.9241	High Similarity	NPC256406
0.9241	High Similarity	NPC45291
0.9241	High Similarity	NPC19980
0.9241	High Similarity	NPC272566
0.9236	High Similarity	NPC52005
0.9236	High Similarity	NPC137062
0.9236	High Similarity	NPC183950
0.9236	High Similarity	NPC287101
0.9236	High Similarity	NPC223579
0.9231	High Similarity	NPC168803
0.9209	High Similarity	NPC4796
0.9184	High Similarity	NPC117992
0.9184	High Similarity	NPC230149
0.9184	High Similarity	NPC20830
0.9184	High Similarity	NPC152951
0.9184	High Similarity	NPC256612
0.9184	High Similarity	NPC168247
0.9184	High Similarity	NPC39184
0.9184	High Similarity	NPC57674
0.9184	High Similarity	NPC38898
0.9184	High Similarity	NPC2928
0.9178	High Similarity	NPC239128
0.9178	High Similarity	NPC293183
0.9178	High Similarity	NPC187498
0.9178	High Similarity	NPC156222
0.9178	High Similarity	NPC275836
0.9178	High Similarity	NPC301323
0.9178	High Similarity	NPC198826
0.9178	High Similarity	NPC83508
0.9178	High Similarity	NPC222830
0.9178	High Similarity	NPC212678
0.9178	High Similarity	NPC57030
0.9178	High Similarity	NPC241498
0.9178	High Similarity	NPC275722
0.9178	High Similarity	NPC120163
0.9178	High Similarity	NPC131624
0.9178	High Similarity	NPC162313
0.9178	High Similarity	NPC25270
0.9178	High Similarity	NPC100887
0.9178	High Similarity	NPC256283
0.9178	High Similarity	NPC304954
0.9178	High Similarity	NPC71334
0.9178	High Similarity	NPC188203
0.9178	High Similarity	NPC55205
0.9172	High Similarity	NPC156953
0.9172	High Similarity	NPC10467
0.9167	High Similarity	NPC107636
0.9167	High Similarity	NPC43669
0.9167	High Similarity	NPC272721
0.9167	High Similarity	NPC120464
0.9167	High Similarity	NPC196277
0.9161	High Similarity	NPC143903
0.9161	High Similarity	NPC226987
0.9155	High Similarity	NPC38065
0.9155	High Similarity	NPC242893
0.9149	High Similarity	NPC299154
0.9137	High Similarity	NPC44573
0.9122	High Similarity	NPC472916
0.9122	High Similarity	NPC265511
0.9122	High Similarity	NPC472455
0.9116	High Similarity	NPC33051
0.9116	High Similarity	NPC469550
0.9116	High Similarity	NPC274327
0.9116	High Similarity	NPC183878
0.9116	High Similarity	NPC47781
0.9116	High Similarity	NPC145379
0.9116	High Similarity	NPC22519
0.9116	High Similarity	NPC250557
0.9116	High Similarity	NPC167091
0.9116	High Similarity	NPC271779
0.9116	High Similarity	NPC176775
0.9116	High Similarity	NPC273462
0.9116	High Similarity	NPC227337
0.9116	High Similarity	NPC255350
0.9116	High Similarity	NPC88645
0.9116	High Similarity	NPC69394
0.9116	High Similarity	NPC49402
0.9116	High Similarity	NPC70433
0.9116	High Similarity	NPC292214
0.9116	High Similarity	NPC160951
0.9116	High Similarity	NPC206238
0.9116	High Similarity	NPC231018
0.9111	High Similarity	NPC66905
0.9111	High Similarity	NPC247779
0.911	High Similarity	NPC252933
0.911	High Similarity	NPC125062
0.911	High Similarity	NPC200740
0.911	High Similarity	NPC54394
0.911	High Similarity	NPC262623
0.9103	High Similarity	NPC48479
0.9103	High Similarity	NPC177298
0.9103	High Similarity	NPC38545
0.9103	High Similarity	NPC171916
0.9097	High Similarity	NPC12200
0.9097	High Similarity	NPC108406
0.9097	High Similarity	NPC95864
0.9097	High Similarity	NPC77598
0.9097	High Similarity	NPC77378
0.9085	High Similarity	NPC16353
0.9085	High Similarity	NPC50954
0.9065	High Similarity	NPC472364
0.9065	High Similarity	NPC25305
0.9065	High Similarity	NPC473391
0.9065	High Similarity	NPC125417
0.9065	High Similarity	NPC95679
0.9065	High Similarity	NPC112068
0.9065	High Similarity	NPC110899
0.906	High Similarity	NPC178976
0.906	High Similarity	NPC210084
0.906	High Similarity	NPC299520
0.906	High Similarity	NPC129684
0.906	High Similarity	NPC99597
0.9058	High Similarity	NPC274613
0.9054	High Similarity	NPC167815
0.9054	High Similarity	NPC92659
0.9054	High Similarity	NPC227325
0.9054	High Similarity	NPC183597
0.9054	High Similarity	NPC130589
0.9054	High Similarity	NPC201136
0.9054	High Similarity	NPC213622
0.9054	High Similarity	NPC256925
0.9054	High Similarity	NPC26227
0.9054	High Similarity	NPC44079
0.9054	High Similarity	NPC146165
0.9054	High Similarity	NPC2476
0.9054	High Similarity	NPC208197
0.9054	High Similarity	NPC201451
0.9054	High Similarity	NPC128863
0.9054	High Similarity	NPC138360
0.9054	High Similarity	NPC472280
0.9054	High Similarity	NPC50715
0.9054	High Similarity	NPC196439
0.9054	High Similarity	NPC134287
0.9054	High Similarity	NPC234255
0.9054	High Similarity	NPC163780
0.9054	High Similarity	NPC280339
0.9054	High Similarity	NPC4455
0.9048	High Similarity	NPC180234
0.9048	High Similarity	NPC260979
0.9048	High Similarity	NPC101996

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC312256 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	296
0.1-0.2	905
0.2-0.3	1550
0.3-0.4	2608
0.4-0.5	1928
0.5-0.6	1117
0.6-0.7	572
0.7-0.8	139
0.8-0.85	34
0.85-0.9	9
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9122	High Similarity	NPD3882	Suspended
0.9116	High Similarity	NPD2801	Approved
0.9048	High Similarity	NPD1934	Approved
0.8889	High Similarity	NPD1511	Approved
0.8767	High Similarity	NPD1512	Approved
0.8733	High Similarity	NPD2393	Clinical (unspecified phase)
0.8705	High Similarity	NPD943	Approved
0.8705	High Similarity	NPD1240	Approved
0.8618	High Similarity	NPD4868	Clinical (unspecified phase)
0.8592	High Similarity	NPD1510	Phase 2
0.8582	High Similarity	NPD1607	Approved
0.8511	High Similarity	NPD230	Phase 1
0.8481	Intermediate Similarity	NPD3818	Discontinued
0.8478	Intermediate Similarity	NPD9494	Approved
0.8471	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8471	Intermediate Similarity	NPD6166	Phase 2
0.8471	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8431	Intermediate Similarity	NPD3817	Phase 2
0.8366	Intermediate Similarity	NPD1465	Phase 2
0.8344	Intermediate Similarity	NPD6232	Discontinued
0.8333	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.8321	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.8313	Intermediate Similarity	NPD7054	Approved
0.8302	Intermediate Similarity	NPD7473	Discontinued
0.8289	Intermediate Similarity	NPD4380	Phase 2
0.8288	Intermediate Similarity	NPD1549	Phase 2
0.8261	Intermediate Similarity	NPD7074	Phase 3
0.8261	Intermediate Similarity	NPD7472	Approved
0.8255	Intermediate Similarity	NPD6799	Approved
0.8227	Intermediate Similarity	NPD3027	Phase 3
0.8219	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.811	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD5494	Approved
0.8098	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8098	Intermediate Similarity	NPD6797	Phase 2
0.8089	Intermediate Similarity	NPD7075	Discontinued
0.8082	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8054	Intermediate Similarity	NPD3750	Approved
0.8049	Intermediate Similarity	NPD7251	Discontinued
0.8028	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8027	Intermediate Similarity	NPD2796	Approved
0.8013	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7808	Phase 3
0.7986	Intermediate Similarity	NPD9269	Phase 2
0.7975	Intermediate Similarity	NPD5844	Phase 1
0.7975	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7961	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7958	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.795	Intermediate Similarity	NPD3926	Phase 2
0.7935	Intermediate Similarity	NPD6599	Discontinued
0.7933	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD1613	Approved
0.7917	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7905	Intermediate Similarity	NPD2935	Discontinued
0.7898	Intermediate Similarity	NPD7819	Suspended
0.7895	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7877	Intermediate Similarity	NPD447	Suspended
0.7834	Intermediate Similarity	NPD6801	Discontinued
0.7826	Intermediate Similarity	NPD1247	Approved
0.7815	Intermediate Similarity	NPD4628	Phase 3
0.7812	Intermediate Similarity	NPD919	Approved
0.781	Intermediate Similarity	NPD5536	Phase 2
0.7785	Intermediate Similarity	NPD1551	Phase 2
0.7778	Intermediate Similarity	NPD4357	Discontinued
0.7771	Intermediate Similarity	NPD7411	Suspended
0.7763	Intermediate Similarity	NPD6190	Approved
0.7748	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD5402	Approved
0.7718	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD3748	Approved
0.7708	Intermediate Similarity	NPD3018	Phase 2
0.7702	Intermediate Similarity	NPD6234	Discontinued
0.7698	Intermediate Similarity	NPD9268	Approved
0.764	Intermediate Similarity	NPD3749	Approved
0.7632	Intermediate Similarity	NPD2800	Approved
0.763	Intermediate Similarity	NPD228	Approved
0.7628	Intermediate Similarity	NPD5403	Approved
0.7622	Intermediate Similarity	NPD5242	Approved
0.7616	Intermediate Similarity	NPD2344	Approved
0.7613	Intermediate Similarity	NPD2534	Approved
0.7613	Intermediate Similarity	NPD2532	Approved
0.7613	Intermediate Similarity	NPD2533	Approved
0.7613	Intermediate Similarity	NPD5401	Approved
0.761	Intermediate Similarity	NPD37	Approved
0.7607	Intermediate Similarity	NPD7199	Phase 2
0.7584	Intermediate Similarity	NPD6651	Approved
0.7552	Intermediate Similarity	NPD2983	Phase 2
0.7552	Intermediate Similarity	NPD2982	Phase 2
0.755	Intermediate Similarity	NPD6100	Approved
0.755	Intermediate Similarity	NPD6099	Approved
0.7547	Intermediate Similarity	NPD6385	Approved
0.7547	Intermediate Similarity	NPD6386	Approved
0.7545	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7517	Intermediate Similarity	NPD1933	Approved
0.7516	Intermediate Similarity	NPD5353	Approved
0.7515	Intermediate Similarity	NPD6559	Discontinued
0.7515	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD7685	Pre-registration
0.75	Intermediate Similarity	NPD9545	Approved
0.75	Intermediate Similarity	NPD6959	Discontinued
0.7483	Intermediate Similarity	NPD3972	Approved
0.7483	Intermediate Similarity	NPD2981	Phase 2
0.747	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD4965	Approved
0.7469	Intermediate Similarity	NPD4967	Phase 2
0.7469	Intermediate Similarity	NPD7768	Phase 2
0.7469	Intermediate Similarity	NPD4966	Approved
0.7468	Intermediate Similarity	NPD1653	Approved
0.7448	Intermediate Similarity	NPD1203	Approved
0.7419	Intermediate Similarity	NPD2309	Approved
0.7414	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7413	Intermediate Similarity	NPD422	Phase 1
0.7405	Intermediate Similarity	NPD920	Approved
0.7403	Intermediate Similarity	NPD1243	Approved
0.7381	Intermediate Similarity	NPD3751	Discontinued
0.7381	Intermediate Similarity	NPD7228	Approved
0.7376	Intermediate Similarity	NPD1548	Phase 1
0.7368	Intermediate Similarity	NPD2799	Discontinued
0.7361	Intermediate Similarity	NPD1608	Approved
0.7355	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD5953	Discontinued
0.7333	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD3764	Approved
0.7312	Intermediate Similarity	NPD7458	Discontinued
0.7312	Intermediate Similarity	NPD3226	Approved
0.7312	Intermediate Similarity	NPD824	Approved
0.7297	Intermediate Similarity	NPD4908	Phase 1
0.7292	Intermediate Similarity	NPD1610	Phase 2
0.729	Intermediate Similarity	NPD2654	Approved
0.7279	Intermediate Similarity	NPD2798	Approved
0.7278	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD5283	Phase 1
0.7261	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD1876	Approved
0.7255	Intermediate Similarity	NPD4308	Phase 3
0.7241	Intermediate Similarity	NPD9717	Approved
0.7235	Intermediate Similarity	NPD7286	Phase 2
0.7234	Intermediate Similarity	NPD9493	Approved
0.7215	Intermediate Similarity	NPD7390	Discontinued
0.7211	Intermediate Similarity	NPD1470	Approved
0.7205	Intermediate Similarity	NPD3455	Phase 2
0.72	Intermediate Similarity	NPD2313	Discontinued
0.72	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD3268	Approved
0.7197	Intermediate Similarity	NPD2354	Approved
0.7181	Intermediate Similarity	NPD6832	Phase 2
0.7171	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD7266	Discontinued
0.7161	Intermediate Similarity	NPD2346	Discontinued
0.7161	Intermediate Similarity	NPD3540	Phase 1
0.7153	Intermediate Similarity	NPD17	Approved
0.7143	Intermediate Similarity	NPD3787	Discontinued
0.7143	Intermediate Similarity	NPD1241	Discontinued
0.7143	Intermediate Similarity	NPD3225	Approved
0.7135	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD1558	Phase 1
0.7097	Intermediate Similarity	NPD3539	Phase 1
0.7095	Intermediate Similarity	NPD2797	Approved
0.7091	Intermediate Similarity	NPD5978	Approved
0.7091	Intermediate Similarity	NPD5977	Approved
0.7091	Intermediate Similarity	NPD4288	Approved
0.7086	Intermediate Similarity	NPD411	Approved
0.7086	Intermediate Similarity	NPD6798	Discontinued
0.7076	Intermediate Similarity	NPD2163	Approved
0.7069	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD6355	Discontinued
0.7055	Intermediate Similarity	NPD1201	Approved
0.7055	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7041	Intermediate Similarity	NPD5710	Approved
0.7041	Intermediate Similarity	NPD5711	Approved
0.7027	Intermediate Similarity	NPD1283	Approved
0.7025	Intermediate Similarity	NPD7003	Approved
0.7025	Intermediate Similarity	NPD8166	Discontinued
0.702	Intermediate Similarity	NPD4625	Phase 3
0.7012	Intermediate Similarity	NPD5090	Approved
0.7012	Intermediate Similarity	NPD5089	Approved
0.7006	Intermediate Similarity	NPD6971	Discontinued
0.6993	Remote Similarity	NPD4060	Phase 1
0.6993	Remote Similarity	NPD4307	Phase 2
0.6993	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6989	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.698	Remote Similarity	NPD3266	Approved
0.698	Remote Similarity	NPD3267	Approved
0.6978	Remote Similarity	NPD3021	Approved
0.6978	Remote Similarity	NPD3022	Approved
0.6974	Remote Similarity	NPD1296	Phase 2
0.6966	Remote Similarity	NPD1651	Approved
0.6959	Remote Similarity	NPD4749	Approved
0.6957	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6946	Remote Similarity	NPD5019	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD2353	Approved
0.6943	Remote Similarity	NPD2343	Clinical (unspecified phase)

Structure

CID312256 OpenBabel06191716122D 22 23 0 0 0 0 0 0 0 0999 V2000 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 -0.8660 -1.5000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -2.5000 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 -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 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 4.3301 -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 3.4641 -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 1.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 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 -0.8660 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 22 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 11 17 2 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	6478421
ChEMBL	CHEMBL3099519
ZINC

Physicochemical Properties

Molecular Weight:	302.08
ALogP:	-1.7957
MLogP:	2.56
XLogP:	1.575
# Rotatable Bonds:	9
Polar Surface Area:	107.22
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	22

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