NPASS Natural Product

Natural Product: NPC103842

Natural Product ID:	NPC103842
Common Name:	Angoletin
IUPAC Name:	1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
Synonyms:	Angoletin
Molecular Formula:	C18H20O4
Standard InCHIKey:	HBRYKWADRULLHU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
Canonical SMILES:	COc1c(C(=O)CCc2ccccc2)c(O)c(c(c1C)O)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO8708	Vibrio cholerae	Species	Vibrionaceae	Bacteria	UNPD*
NPO17722	Athroisma gracile	Species	Asteraceae	Eukaryota	UNPD*
NPO18174	Rinodina lepida	Species	Physciaceae	Eukaryota	UNPD*
NPO15901	Pentanema indicum	Species	Asteraceae	Eukaryota	UNPD*
NPO10597	Fructus syzygii	NA	NA	NA	TCMID*
NPO12116	Anabasis brevifolia	Species	Chenopodiaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	3

Activity Type	# Activity
Organism	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	Activity	=	12.5	ug/ml	10.1021/np50021a016
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	Activity	=	0.8	ug/ml	10.1021/np50021a016
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	Activity	=	6.3	ug/ml	10.1021/np50021a016

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 NPC103842 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	224
0.1-0.2	1166
0.2-0.3	2345
0.3-0.4	5684
0.4-0.5	7598
0.5-0.6	2429
0.6-0.7	4634
0.7-0.8	3971
0.8-0.85	1488
0.85-0.9	797
0.9-0.95	479
0.95-1	74

Similarity Score	Similarity Level	Natural Product ID
0.9922	High Similarity	NPC13575
0.9922	High Similarity	NPC156092
0.9846	High Similarity	NPC477243
0.9846	High Similarity	NPC249606
0.9846	High Similarity	NPC168105
0.9846	High Similarity	NPC66349
0.9846	High Similarity	NPC1486
0.9846	High Similarity	NPC186838
0.9846	High Similarity	NPC25287
0.9846	High Similarity	NPC274109
0.9846	High Similarity	NPC477242
0.9846	High Similarity	NPC477244
0.9846	High Similarity	NPC150399
0.9846	High Similarity	NPC41461
0.9846	High Similarity	NPC98115
0.9846	High Similarity	NPC12165
0.9771	High Similarity	NPC317119
0.9771	High Similarity	NPC472419
0.9771	High Similarity	NPC153979
0.9769	High Similarity	NPC131039
0.9767	High Similarity	NPC159623
0.9767	High Similarity	NPC144051
0.9767	High Similarity	NPC28753
0.9767	High Similarity	NPC18877
0.9767	High Similarity	NPC20560
0.9767	High Similarity	NPC294593
0.9767	High Similarity	NPC204960
0.9767	High Similarity	NPC82225
0.9697	High Similarity	NPC251681
0.9697	High Similarity	NPC243528
0.9697	High Similarity	NPC21350
0.9697	High Similarity	NPC471620
0.9692	High Similarity	NPC286336
0.969	High Similarity	NPC215875
0.969	High Similarity	NPC15834
0.9624	High Similarity	NPC472366
0.9624	High Similarity	NPC470211
0.9624	High Similarity	NPC53181
0.9624	High Similarity	NPC477956
0.9624	High Similarity	NPC217186
0.9624	High Similarity	NPC283429
0.9615	High Similarity	NPC312318
0.9615	High Similarity	NPC263670
0.9615	High Similarity	NPC472365
0.9615	High Similarity	NPC16197
0.9615	High Similarity	NPC175098
0.9615	High Similarity	NPC337373
0.9615	High Similarity	NPC188646
0.9615	High Similarity	NPC242294
0.9615	High Similarity	NPC139813
0.9615	High Similarity	NPC192304
0.9615	High Similarity	NPC56031
0.9615	High Similarity	NPC27643
0.9612	High Similarity	NPC475008
0.9612	High Similarity	NPC186097
0.9612	High Similarity	NPC475009
0.9552	High Similarity	NPC215311
0.9552	High Similarity	NPC159275
0.9552	High Similarity	NPC172250
0.9552	High Similarity	NPC204985
0.9552	High Similarity	NPC326109
0.9552	High Similarity	NPC259166
0.9552	High Similarity	NPC219917
0.9552	High Similarity	NPC11056
0.9552	High Similarity	NPC213659
0.9552	High Similarity	NPC48624
0.9552	High Similarity	NPC144118
0.9552	High Similarity	NPC80962
0.9552	High Similarity	NPC241100
0.9538	High Similarity	NPC87231
0.9538	High Similarity	NPC205468
0.9538	High Similarity	NPC212631
0.9538	High Similarity	NPC257756
0.9538	High Similarity	NPC129132
0.9481	High Similarity	NPC110969
0.9481	High Similarity	NPC470089
0.9481	High Similarity	NPC110038
0.9481	High Similarity	NPC268204
0.9481	High Similarity	NPC469404
0.9481	High Similarity	NPC26238
0.9481	High Similarity	NPC52789
0.9481	High Similarity	NPC282300
0.9481	High Similarity	NPC26051
0.9481	High Similarity	NPC321980
0.9481	High Similarity	NPC470087
0.9481	High Similarity	NPC248372
0.9481	High Similarity	NPC55832
0.9478	High Similarity	NPC18260
0.9478	High Similarity	NPC96565
0.9478	High Similarity	NPC295384
0.9478	High Similarity	NPC216978
0.9478	High Similarity	NPC220062
0.9478	High Similarity	NPC78913
0.9478	High Similarity	NPC55018
0.9478	High Similarity	NPC301217
0.9478	High Similarity	NPC303633
0.9462	High Similarity	NPC309717
0.9462	High Similarity	NPC262359
0.9462	High Similarity	NPC128348
0.9462	High Similarity	NPC308037
0.9462	High Similarity	NPC189106
0.9462	High Similarity	NPC66384
0.9462	High Similarity	NPC64359
0.9462	High Similarity	NPC313618
0.9462	High Similarity	NPC112192
0.9462	High Similarity	NPC164236
0.9457	High Similarity	NPC186628
0.9457	High Similarity	NPC84772
0.9412	High Similarity	NPC167624
0.9412	High Similarity	NPC76338
0.9412	High Similarity	NPC220998
0.9412	High Similarity	NPC228504
0.9412	High Similarity	NPC161506
0.9412	High Similarity	NPC78
0.9412	High Similarity	NPC166482
0.9412	High Similarity	NPC223500
0.9412	High Similarity	NPC328164
0.9412	High Similarity	NPC265040
0.9412	High Similarity	NPC10937
0.9412	High Similarity	NPC64915
0.9412	High Similarity	NPC40833
0.9412	High Similarity	NPC1089
0.9412	High Similarity	NPC125855
0.9412	High Similarity	NPC182852
0.9412	High Similarity	NPC296917
0.9412	High Similarity	NPC266725
0.9412	High Similarity	NPC306829
0.9412	High Similarity	NPC297600
0.9412	High Similarity	NPC66515
0.9412	High Similarity	NPC76372
0.9412	High Similarity	NPC148757
0.9412	High Similarity	NPC32739
0.9412	High Similarity	NPC226636
0.9412	High Similarity	NPC324134
0.9412	High Similarity	NPC107572
0.9412	High Similarity	NPC177354
0.9412	High Similarity	NPC11561
0.9412	High Similarity	NPC37496
0.9412	High Similarity	NPC166934
0.9412	High Similarity	NPC194432
0.9412	High Similarity	NPC324436
0.9412	High Similarity	NPC227579
0.9407	High Similarity	NPC261227
0.9407	High Similarity	NPC270883
0.9407	High Similarity	NPC150522
0.9407	High Similarity	NPC101366
0.9407	High Similarity	NPC69769
0.9407	High Similarity	NPC253822
0.9407	High Similarity	NPC172986
0.9407	High Similarity	NPC265178
0.9403	High Similarity	NPC472368
0.9403	High Similarity	NPC201395
0.9403	High Similarity	NPC124269
0.9398	High Similarity	NPC24394
0.9398	High Similarity	NPC473391
0.9398	High Similarity	NPC213603
0.9398	High Similarity	NPC174999
0.9398	High Similarity	NPC472364
0.9398	High Similarity	NPC472367
0.9398	High Similarity	NPC476333
0.9394	High Similarity	NPC164136
0.9385	High Similarity	NPC324482
0.9385	High Similarity	NPC279566
0.938	High Similarity	NPC230818
0.9343	High Similarity	NPC81697
0.9343	High Similarity	NPC214166
0.9343	High Similarity	NPC185276
0.9343	High Similarity	NPC51887
0.9343	High Similarity	NPC18585
0.9343	High Similarity	NPC91560
0.9343	High Similarity	NPC316816
0.9343	High Similarity	NPC143896
0.9343	High Similarity	NPC75049
0.9343	High Similarity	NPC117836
0.9343	High Similarity	NPC107177
0.9343	High Similarity	NPC125894
0.9343	High Similarity	NPC245482
0.9343	High Similarity	NPC223812
0.9343	High Similarity	NPC175504
0.9343	High Similarity	NPC77794
0.9343	High Similarity	NPC169591
0.9343	High Similarity	NPC39329
0.9343	High Similarity	NPC257097
0.9343	High Similarity	NPC149026
0.9343	High Similarity	NPC85162
0.9343	High Similarity	NPC310130
0.9343	High Similarity	NPC150408
0.9343	High Similarity	NPC106985
0.9343	High Similarity	NPC68104
0.9343	High Similarity	NPC164980
0.9343	High Similarity	NPC475705
0.9343	High Similarity	NPC476178
0.9343	High Similarity	NPC278249
0.9343	High Similarity	NPC166138
0.9343	High Similarity	NPC301751
0.9343	High Similarity	NPC478086
0.9343	High Similarity	NPC221432
0.9338	High Similarity	NPC4743
0.9338	High Similarity	NPC3188
0.9338	High Similarity	NPC103362

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC103842 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	256
0.1-0.2	936
0.2-0.3	1282
0.3-0.4	2348
0.4-0.5	2258
0.5-0.6	1363
0.6-0.7	511
0.7-0.8	155
0.8-0.85	32
0.85-0.9	13
0.9-0.95	7
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9462	High Similarity	NPD1240	Approved
0.9318	High Similarity	NPD1607	Approved
0.9275	High Similarity	NPD4378	Clinical (unspecified phase)
0.9179	High Similarity	NPD1510	Phase 2
0.9137	High Similarity	NPD7410	Clinical (unspecified phase)
0.9044	High Similarity	NPD1550	Clinical (unspecified phase)
0.9044	High Similarity	NPD1552	Clinical (unspecified phase)
0.8978	High Similarity	NPD1549	Phase 2
0.8889	High Similarity	NPD6651	Approved
0.8819	High Similarity	NPD4380	Phase 2
0.8767	High Similarity	NPD2393	Clinical (unspecified phase)
0.8759	High Similarity	NPD7411	Suspended
0.8707	High Similarity	NPD8443	Clinical (unspecified phase)
0.8696	High Similarity	NPD2796	Approved
0.8591	High Similarity	NPD7075	Discontinued
0.8561	High Similarity	NPD2935	Discontinued
0.8531	High Similarity	NPD6799	Approved
0.8514	High Similarity	NPD7096	Clinical (unspecified phase)
0.8514	High Similarity	NPD7819	Suspended
0.8511	High Similarity	NPD2800	Approved
0.8446	Intermediate Similarity	NPD6801	Discontinued
0.8446	Intermediate Similarity	NPD1934	Approved
0.844	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8403	Intermediate Similarity	NPD1511	Approved
0.8389	Intermediate Similarity	NPD2801	Approved
0.838	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8345	Intermediate Similarity	NPD2533	Approved
0.8345	Intermediate Similarity	NPD2532	Approved
0.8345	Intermediate Similarity	NPD2534	Approved
0.8321	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8311	Intermediate Similarity	NPD6599	Discontinued
0.8288	Intermediate Similarity	NPD1512	Approved
0.8278	Intermediate Similarity	NPD3882	Suspended
0.8278	Intermediate Similarity	NPD7768	Phase 2
0.8258	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8247	Intermediate Similarity	NPD6232	Discontinued
0.8224	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8205	Intermediate Similarity	NPD7473	Discontinued
0.8194	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.8194	Intermediate Similarity	NPD3750	Approved
0.8182	Intermediate Similarity	NPD6959	Discontinued
0.8169	Intermediate Similarity	NPD1551	Phase 2
0.8125	Intermediate Similarity	NPD1243	Approved
0.8101	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8099	Intermediate Similarity	NPD2799	Discontinued
0.8099	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD943	Approved
0.8025	Intermediate Similarity	NPD6166	Phase 2
0.8025	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD5953	Discontinued
0.8	Intermediate Similarity	NPD2654	Approved
0.7987	Intermediate Similarity	NPD7286	Phase 2
0.7987	Intermediate Similarity	NPD920	Approved
0.7987	Intermediate Similarity	NPD3749	Approved
0.7986	Intermediate Similarity	NPD2344	Approved
0.7974	Intermediate Similarity	NPD3817	Phase 2
0.7959	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7956	Intermediate Similarity	NPD1203	Approved
0.7929	Intermediate Similarity	NPD2313	Discontinued
0.7905	Intermediate Similarity	NPD7390	Discontinued
0.7901	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7899	Intermediate Similarity	NPD2798	Approved
0.7885	Intermediate Similarity	NPD5494	Approved
0.7868	Intermediate Similarity	NPD3972	Approved
0.7867	Intermediate Similarity	NPD5403	Approved
0.7852	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD3748	Approved
0.7826	Intermediate Similarity	NPD7074	Phase 3
0.7812	Intermediate Similarity	NPD3818	Discontinued
0.7801	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD6832	Phase 2
0.777	Intermediate Similarity	NPD2309	Approved
0.7764	Intermediate Similarity	NPD7054	Approved
0.7744	Intermediate Similarity	NPD9493	Approved
0.7737	Intermediate Similarity	NPD9717	Approved
0.7733	Intermediate Similarity	NPD5401	Approved
0.773	Intermediate Similarity	NPD6559	Discontinued
0.7716	Intermediate Similarity	NPD7472	Approved
0.7703	Intermediate Similarity	NPD4628	Phase 3
0.7692	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD3268	Approved
0.7673	Intermediate Similarity	NPD5711	Approved
0.7673	Intermediate Similarity	NPD5710	Approved
0.7671	Intermediate Similarity	NPD6099	Approved
0.7671	Intermediate Similarity	NPD6100	Approved
0.7669	Intermediate Similarity	NPD6797	Phase 2
0.7664	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD422	Phase 1
0.766	Intermediate Similarity	NPD4908	Phase 1
0.7647	Intermediate Similarity	NPD3226	Approved
0.7632	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.763	Intermediate Similarity	NPD9545	Approved
0.763	Intermediate Similarity	NPD1548	Phase 1
0.7622	Intermediate Similarity	NPD7251	Discontinued
0.7619	Intermediate Similarity	NPD2346	Discontinued
0.7603	Intermediate Similarity	NPD7033	Discontinued
0.7595	Intermediate Similarity	NPD919	Approved
0.7576	Intermediate Similarity	NPD7808	Phase 3
0.7574	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD2797	Approved
0.7571	Intermediate Similarity	NPD1164	Approved
0.7551	Intermediate Similarity	NPD5406	Approved
0.7551	Intermediate Similarity	NPD5404	Approved
0.7551	Intermediate Similarity	NPD5405	Approved
0.7551	Intermediate Similarity	NPD5408	Approved
0.7546	Intermediate Similarity	NPD5844	Phase 1
0.7536	Intermediate Similarity	NPD1610	Phase 2
0.7536	Intermediate Similarity	NPD1201	Approved
0.7532	Intermediate Similarity	NPD7458	Discontinued
0.7517	Intermediate Similarity	NPD5124	Phase 1
0.7517	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD3926	Phase 2
0.7516	Intermediate Similarity	NPD5402	Approved
0.75	Intermediate Similarity	NPD1729	Discontinued
0.75	Intermediate Similarity	NPD1247	Approved
0.747	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD7003	Approved
0.7467	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD1470	Approved
0.7442	Intermediate Similarity	NPD4363	Phase 3
0.7442	Intermediate Similarity	NPD4360	Phase 2
0.7436	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD4361	Phase 2
0.7397	Intermediate Similarity	NPD230	Phase 1
0.7376	Intermediate Similarity	NPD1876	Approved
0.7376	Intermediate Similarity	NPD3225	Approved
0.7365	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD4308	Phase 3
0.7361	Intermediate Similarity	NPD3027	Phase 3
0.7361	Intermediate Similarity	NPD4625	Phase 3
0.7357	Intermediate Similarity	NPD1608	Approved
0.7356	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD3267	Approved
0.7324	Intermediate Similarity	NPD3266	Approved
0.732	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD1651	Approved
0.731	Intermediate Similarity	NPD1296	Phase 2
0.731	Intermediate Similarity	NPD3764	Approved
0.7279	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD1933	Approved
0.7267	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD1241	Discontinued
0.7254	Intermediate Similarity	NPD1283	Approved
0.7246	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD1465	Phase 2
0.7226	Intermediate Similarity	NPD5049	Phase 3
0.7225	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD5890	Approved
0.7215	Intermediate Similarity	NPD5889	Approved
0.7214	Intermediate Similarity	NPD3847	Discontinued
0.7209	Intermediate Similarity	NPD940	Approved
0.7209	Intermediate Similarity	NPD846	Approved
0.7202	Intermediate Similarity	NPD6104	Discontinued
0.7192	Intermediate Similarity	NPD6798	Discontinued
0.7192	Intermediate Similarity	NPD411	Approved
0.7188	Intermediate Similarity	NPD2296	Approved
0.7188	Intermediate Similarity	NPD4288	Approved
0.7183	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD447	Suspended
0.7161	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD1019	Discontinued
0.7152	Intermediate Similarity	NPD6585	Discontinued
0.7152	Intermediate Similarity	NPD1471	Phase 3
0.7143	Intermediate Similarity	NPD17	Approved
0.7143	Intermediate Similarity	NPD4626	Approved
0.7143	Intermediate Similarity	NPD74	Approved
0.7143	Intermediate Similarity	NPD9266	Approved
0.7135	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD7229	Phase 3
0.7122	Intermediate Similarity	NPD1894	Discontinued
0.7113	Intermediate Similarity	NPD1481	Phase 2
0.711	Intermediate Similarity	NPD4287	Approved
0.7103	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD9494	Approved
0.7095	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD4307	Phase 2
0.7095	Intermediate Similarity	NPD1613	Approved
0.7089	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD4477	Approved
0.7086	Intermediate Similarity	NPD4476	Approved
0.7078	Intermediate Similarity	NPD3295	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD2354	Approved
0.7068	Intermediate Similarity	NPD9264	Approved
0.7068	Intermediate Similarity	NPD9263	Approved
0.7068	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD9267	Approved
0.7066	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD37	Approved
0.7063	Intermediate Similarity	NPD4749	Approved
0.7051	Intermediate Similarity	NPD4661	Approved
0.7051	Intermediate Similarity	NPD4662	Approved
0.7051	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD2403	Approved
0.7047	Intermediate Similarity	NPD6355	Discontinued
0.7042	Intermediate Similarity	NPD1281	Approved
0.7042	Intermediate Similarity	NPD1535	Discovery

Structure

CID103842 OpenBabel06191715452D 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0000 -3.0000 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 -0.8660 1.5000 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 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 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 5.1962 -0.0000 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 2.5981 -0.5000 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 -0.8660 -0.5000 0.0000 C 0 0 0 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 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 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 7 13 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	131162
ChEMBL	CHEMBL452234
ZINC

Physicochemical Properties

Molecular Weight:	300.14
ALogP:	0.145
MLogP:	3
XLogP:	4.31
# Rotatable Bonds:	10
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	22

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