NPASS Natural Product

Natural Product: NPC20337

Natural Product ID:	NPC20337
Common Name:	Tricrozarin A
IUPAC Name:	4,9-dihydroxy-6,7-dimethoxybenzo[f][1,3]benzodioxole-5,8-dione
Synonyms:
Molecular Formula:	C13H10O8
Standard InCHIKey:	RKJCLPSFLUKWQY-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C13H10O8/c1-18-10-6(14)4-5(7(15)11(10)19-2)9(17)13-12(8(4)16)20-3-21-13/h16-17H,3H2,1-2H3
Canonical SMILES:	COC1=C(OC)C(=O)c2c(C1=O)c(O)c1c(c2O)OCO1
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
NPO20626	Tritonia crocosmaeflora	Species	Iridaceae	Eukaryota				TCMID*
NPO2392	Hansenia weberbaueriana	Species	Apiaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
MIC	6

Activity Type	# Activity
Organism	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	5.1	ug/ml	3668558
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	112	ug/ml	3668558
NPT21	Organism	Aspergillus niger	Aspergillus niger	MIC	=	81.3	ug/ml	3668558
NPT1532	Organism	Mucor racemosus	Mucor racemosus	MIC	=	10.2	ug/ml	3668558
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	81.3	ug/ml	3668558
NPT1533	Organism	Saccharomyces	Saccharomyces	MIC	=	81.3	ug/ml	3668558

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 NPC20337 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	358
0.1-0.2	1607
0.2-0.3	3536
0.3-0.4	7589
0.4-0.5	5304
0.5-0.6	3546
0.6-0.7	4866
0.7-0.8	3677
0.8-0.85	400
0.85-0.9	4
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9073	High Similarity	NPC103509
0.9038	High Similarity	NPC65746
0.8718	High Similarity	NPC18954
0.8645	High Similarity	NPC288316
0.8642	High Similarity	NPC76482
0.859	High Similarity	NPC38469
0.8485	Intermediate Similarity	NPC292794
0.8471	Intermediate Similarity	NPC477962
0.8471	Intermediate Similarity	NPC477961
0.8471	Intermediate Similarity	NPC477960
0.8457	Intermediate Similarity	NPC208120
0.8457	Intermediate Similarity	NPC173587
0.8457	Intermediate Similarity	NPC327809
0.8447	Intermediate Similarity	NPC260640
0.8447	Intermediate Similarity	NPC295009
0.8421	Intermediate Similarity	NPC174486
0.8405	Intermediate Similarity	NPC146584
0.8405	Intermediate Similarity	NPC21016
0.8385	Intermediate Similarity	NPC285973
0.8385	Intermediate Similarity	NPC225624
0.8377	Intermediate Similarity	NPC471689
0.8375	Intermediate Similarity	NPC283301
0.8375	Intermediate Similarity	NPC167595
0.8373	Intermediate Similarity	NPC471688
0.8365	Intermediate Similarity	NPC472048
0.8365	Intermediate Similarity	NPC234485
0.8344	Intermediate Similarity	NPC476822
0.8344	Intermediate Similarity	NPC96501
0.8333	Intermediate Similarity	NPC162668
0.8323	Intermediate Similarity	NPC477410
0.8323	Intermediate Similarity	NPC30550
0.8323	Intermediate Similarity	NPC143903
0.8323	Intermediate Similarity	NPC215375
0.8323	Intermediate Similarity	NPC62518
0.8323	Intermediate Similarity	NPC226987
0.8323	Intermediate Similarity	NPC195832
0.8322	Intermediate Similarity	NPC14377
0.8313	Intermediate Similarity	NPC25850
0.8313	Intermediate Similarity	NPC268161
0.8313	Intermediate Similarity	NPC276815
0.8303	Intermediate Similarity	NPC42892
0.8303	Intermediate Similarity	NPC232936
0.8302	Intermediate Similarity	NPC477048
0.8302	Intermediate Similarity	NPC273248
0.8302	Intermediate Similarity	NPC127172
0.8302	Intermediate Similarity	NPC477047
0.8282	Intermediate Similarity	NPC238995
0.8282	Intermediate Similarity	NPC469575
0.8282	Intermediate Similarity	NPC474763
0.8282	Intermediate Similarity	NPC215612
0.828	Intermediate Similarity	NPC134293
0.828	Intermediate Similarity	NPC177830
0.8272	Intermediate Similarity	NPC269906
0.8269	Intermediate Similarity	NPC61871
0.8269	Intermediate Similarity	NPC251188
0.8269	Intermediate Similarity	NPC30647
0.8269	Intermediate Similarity	NPC55557
0.8261	Intermediate Similarity	NPC176665
0.8261	Intermediate Similarity	NPC78302
0.8261	Intermediate Similarity	NPC287979
0.8261	Intermediate Similarity	NPC163524
0.8261	Intermediate Similarity	NPC235215
0.8261	Intermediate Similarity	NPC305663
0.8261	Intermediate Similarity	NPC7973
0.8261	Intermediate Similarity	NPC472438
0.8261	Intermediate Similarity	NPC29841
0.8253	Intermediate Similarity	NPC476771
0.8253	Intermediate Similarity	NPC247136
0.8253	Intermediate Similarity	NPC328321
0.8253	Intermediate Similarity	NPC213416
0.825	Intermediate Similarity	NPC199926
0.825	Intermediate Similarity	NPC79998
0.8246	Intermediate Similarity	NPC182693
0.8242	Intermediate Similarity	NPC113093
0.8242	Intermediate Similarity	NPC20237
0.8239	Intermediate Similarity	NPC161778
0.8232	Intermediate Similarity	NPC59295
0.8232	Intermediate Similarity	NPC475055
0.8232	Intermediate Similarity	NPC94777
0.8232	Intermediate Similarity	NPC1755
0.8232	Intermediate Similarity	NPC29055
0.8232	Intermediate Similarity	NPC263092
0.8232	Intermediate Similarity	NPC470178
0.8232	Intermediate Similarity	NPC39305
0.8232	Intermediate Similarity	NPC249181
0.8232	Intermediate Similarity	NPC1706
0.8228	Intermediate Similarity	NPC234152
0.8221	Intermediate Similarity	NPC474779
0.8221	Intermediate Similarity	NPC201560
0.8217	Intermediate Similarity	NPC287395
0.8217	Intermediate Similarity	NPC183655
0.8217	Intermediate Similarity	NPC131451
0.8217	Intermediate Similarity	NPC15329
0.8214	Intermediate Similarity	NPC24043
0.8214	Intermediate Similarity	NPC101026
0.8214	Intermediate Similarity	NPC470942
0.8214	Intermediate Similarity	NPC21666
0.8214	Intermediate Similarity	NPC169977
0.8214	Intermediate Similarity	NPC45522
0.8214	Intermediate Similarity	NPC42773
0.821	Intermediate Similarity	NPC300943
0.821	Intermediate Similarity	NPC257914
0.821	Intermediate Similarity	NPC25495
0.821	Intermediate Similarity	NPC176300
0.821	Intermediate Similarity	NPC22472
0.821	Intermediate Similarity	NPC19687
0.821	Intermediate Similarity	NPC193842
0.821	Intermediate Similarity	NPC261004
0.821	Intermediate Similarity	NPC18607
0.821	Intermediate Similarity	NPC288669
0.821	Intermediate Similarity	NPC253634
0.821	Intermediate Similarity	NPC152166
0.821	Intermediate Similarity	NPC238405
0.821	Intermediate Similarity	NPC9609
0.821	Intermediate Similarity	NPC4481
0.821	Intermediate Similarity	NPC115798
0.821	Intermediate Similarity	NPC18772
0.821	Intermediate Similarity	NPC204854
0.821	Intermediate Similarity	NPC191459
0.821	Intermediate Similarity	NPC104459
0.821	Intermediate Similarity	NPC105242
0.821	Intermediate Similarity	NPC7846
0.821	Intermediate Similarity	NPC143828
0.821	Intermediate Similarity	NPC130894
0.8204	Intermediate Similarity	NPC72249
0.8204	Intermediate Similarity	NPC28042
0.8199	Intermediate Similarity	NPC43243
0.8199	Intermediate Similarity	NPC245546
0.8199	Intermediate Similarity	NPC100916
0.8199	Intermediate Similarity	NPC55619
0.8199	Intermediate Similarity	NPC474520
0.8199	Intermediate Similarity	NPC292107
0.8199	Intermediate Similarity	NPC98661
0.8199	Intermediate Similarity	NPC266960
0.8199	Intermediate Similarity	NPC200388
0.8199	Intermediate Similarity	NPC247017
0.8199	Intermediate Similarity	NPC150227
0.8193	Intermediate Similarity	NPC95715
0.8193	Intermediate Similarity	NPC283041
0.8187	Intermediate Similarity	NPC473071
0.8187	Intermediate Similarity	NPC473073
0.8182	Intermediate Similarity	NPC314020
0.8182	Intermediate Similarity	NPC45449
0.8182	Intermediate Similarity	NPC327652
0.8182	Intermediate Similarity	NPC191930
0.8182	Intermediate Similarity	NPC34531
0.8171	Intermediate Similarity	NPC469512
0.8171	Intermediate Similarity	NPC191360
0.8171	Intermediate Similarity	NPC48860
0.817	Intermediate Similarity	NPC50823
0.817	Intermediate Similarity	NPC187690
0.8166	Intermediate Similarity	NPC245975
0.8165	Intermediate Similarity	NPC92722
0.8165	Intermediate Similarity	NPC102003
0.816	Intermediate Similarity	NPC84571
0.816	Intermediate Similarity	NPC131557
0.8155	Intermediate Similarity	NPC476405
0.8155	Intermediate Similarity	NPC471181
0.8155	Intermediate Similarity	NPC178737
0.8155	Intermediate Similarity	NPC117260
0.8155	Intermediate Similarity	NPC476772
0.8148	Intermediate Similarity	NPC227192
0.8148	Intermediate Similarity	NPC77679
0.8148	Intermediate Similarity	NPC241904
0.8148	Intermediate Similarity	NPC203891
0.8148	Intermediate Similarity	NPC101830
0.8148	Intermediate Similarity	NPC300727
0.8148	Intermediate Similarity	NPC84935
0.8148	Intermediate Similarity	NPC474990
0.8148	Intermediate Similarity	NPC110070
0.8148	Intermediate Similarity	NPC190020
0.8148	Intermediate Similarity	NPC189179
0.8148	Intermediate Similarity	NPC93376
0.8148	Intermediate Similarity	NPC75215
0.8148	Intermediate Similarity	NPC179732
0.8148	Intermediate Similarity	NPC224137
0.8141	Intermediate Similarity	NPC472917
0.814	Intermediate Similarity	NPC473072
0.8137	Intermediate Similarity	NPC44079
0.8137	Intermediate Similarity	NPC201451
0.8137	Intermediate Similarity	NPC16286
0.8137	Intermediate Similarity	NPC26227
0.8137	Intermediate Similarity	NPC214138
0.8133	Intermediate Similarity	NPC99957
0.8133	Intermediate Similarity	NPC181616
0.8133	Intermediate Similarity	NPC255615
0.8133	Intermediate Similarity	NPC254306
0.8133	Intermediate Similarity	NPC67037
0.8133	Intermediate Similarity	NPC329119
0.8129	Intermediate Similarity	NPC258307
0.8125	Intermediate Similarity	NPC142540
0.8125	Intermediate Similarity	NPC123886
0.8125	Intermediate Similarity	NPC52623
0.8125	Intermediate Similarity	NPC27208
0.8125	Intermediate Similarity	NPC304954
0.8121	Intermediate Similarity	NPC469518
0.8121	Intermediate Similarity	NPC469475
0.8121	Intermediate Similarity	NPC133065
0.8121	Intermediate Similarity	NPC317781
0.8121	Intermediate Similarity	NPC475985

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC20337 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	371
0.1-0.2	1170
0.2-0.3	2467
0.3-0.4	2753
0.4-0.5	1492
0.5-0.6	644
0.6-0.7	186
0.7-0.8	76
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8086	Intermediate Similarity	NPD3882	Suspended
0.8059	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7976	Intermediate Similarity	NPD3818	Discontinued
0.7963	Intermediate Similarity	NPD2801	Approved
0.7836	Intermediate Similarity	NPD6797	Phase 2
0.7791	Intermediate Similarity	NPD7251	Discontinued
0.775	Intermediate Similarity	NPD1512	Approved
0.7746	Intermediate Similarity	NPD7808	Phase 3
0.7738	Intermediate Similarity	NPD6232	Discontinued
0.7719	Intermediate Similarity	NPD7054	Approved
0.7706	Intermediate Similarity	NPD7473	Discontinued
0.7697	Intermediate Similarity	NPD3817	Phase 2
0.7688	Intermediate Similarity	NPD2534	Approved
0.7688	Intermediate Similarity	NPD2533	Approved
0.7688	Intermediate Similarity	NPD2532	Approved
0.7683	Intermediate Similarity	NPD1934	Approved
0.7674	Intermediate Similarity	NPD7074	Phase 3
0.7674	Intermediate Similarity	NPD7472	Approved
0.7643	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD1511	Approved
0.7595	Intermediate Similarity	NPD2800	Approved
0.7564	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7544	Intermediate Similarity	NPD6166	Phase 2
0.753	Intermediate Similarity	NPD1465	Phase 2
0.7471	Intermediate Similarity	NPD1247	Approved
0.7456	Intermediate Similarity	NPD6234	Discontinued
0.7436	Intermediate Similarity	NPD6651	Approved
0.7425	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD37	Approved
0.7356	Intermediate Similarity	NPD3751	Discontinued
0.7314	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD5494	Approved
0.7294	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD3926	Phase 2
0.7261	Intermediate Similarity	NPD230	Phase 1
0.7251	Intermediate Similarity	NPD919	Approved
0.7235	Intermediate Similarity	NPD4967	Phase 2
0.7235	Intermediate Similarity	NPD4965	Approved
0.7235	Intermediate Similarity	NPD4966	Approved
0.7235	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1240	Approved
0.7197	Intermediate Similarity	NPD943	Approved
0.7195	Intermediate Similarity	NPD6799	Approved
0.7193	Intermediate Similarity	NPD7075	Discontinued
0.7176	Intermediate Similarity	NPD5402	Approved
0.7168	Intermediate Similarity	NPD7199	Phase 2
0.7159	Intermediate Similarity	NPD7228	Approved
0.7152	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD5710	Approved
0.7126	Intermediate Similarity	NPD5711	Approved
0.7125	Intermediate Similarity	NPD1510	Phase 2
0.7107	Intermediate Similarity	NPD1607	Approved
0.7095	Intermediate Similarity	NPD6559	Discontinued
0.7059	Intermediate Similarity	NPD6801	Discontinued
0.7041	Intermediate Similarity	NPD4380	Phase 2
0.7041	Intermediate Similarity	NPD6599	Discontinued
0.7039	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD6780	Approved
0.7037	Intermediate Similarity	NPD6776	Approved
0.7037	Intermediate Similarity	NPD6777	Approved
0.7037	Intermediate Similarity	NPD6779	Approved
0.7037	Intermediate Similarity	NPD6781	Approved
0.7037	Intermediate Similarity	NPD6778	Approved
0.7037	Intermediate Similarity	NPD6782	Approved
0.7029	Intermediate Similarity	NPD3787	Discontinued
0.7024	Intermediate Similarity	NPD1653	Approved
0.7022	Intermediate Similarity	NPD5844	Phase 1
0.7018	Intermediate Similarity	NPD7819	Suspended
0.7018	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD7435	Discontinued
0.6988	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD6959	Discontinued
0.6937	Remote Similarity	NPD447	Suspended
0.6933	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6897	Remote Similarity	NPD3749	Approved
0.689	Remote Similarity	NPD1549	Phase 2
0.6879	Remote Similarity	NPD9494	Approved
0.6871	Remote Similarity	NPD2935	Discontinued
0.6862	Remote Similarity	NPD6534	Approved
0.6862	Remote Similarity	NPD6535	Approved
0.6854	Remote Similarity	NPD2403	Approved
0.6839	Remote Similarity	NPD7696	Phase 3
0.6839	Remote Similarity	NPD7697	Approved
0.6839	Remote Similarity	NPD7698	Approved
0.6813	Remote Similarity	NPD7685	Pre-registration
0.6807	Remote Similarity	NPD3750	Approved
0.6804	Remote Similarity	NPD7871	Phase 2
0.6804	Remote Similarity	NPD7870	Phase 2
0.6802	Remote Similarity	NPD7874	Approved
0.6802	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD7701	Phase 2
0.6774	Remote Similarity	NPD9269	Phase 2
0.6766	Remote Similarity	NPD6190	Approved
0.6765	Remote Similarity	NPD5403	Approved
0.6765	Remote Similarity	NPD920	Approved
0.6754	Remote Similarity	NPD7699	Phase 2
0.6754	Remote Similarity	NPD7700	Phase 2
0.6751	Remote Similarity	NPD8151	Discontinued
0.675	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6746	Remote Similarity	NPD5401	Approved
0.6721	Remote Similarity	NPD7240	Approved
0.672	Remote Similarity	NPD8434	Phase 2
0.6686	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6686	Remote Similarity	NPD3226	Approved
0.6683	Remote Similarity	NPD7801	Approved
0.6667	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD1243	Approved
0.6627	Remote Similarity	NPD2344	Approved
0.6613	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD7411	Suspended
0.6603	Remote Similarity	NPD3705	Approved
0.6588	Remote Similarity	NPD7390	Discontinued
0.6584	Remote Similarity	NPD3027	Phase 3
0.6566	Remote Similarity	NPD2796	Approved
0.6566	Remote Similarity	NPD1551	Phase 2
0.6562	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6559	Remote Similarity	NPD8312	Approved
0.6559	Remote Similarity	NPD8313	Approved
0.655	Remote Similarity	NPD642	Clinical (unspecified phase)
0.655	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD2654	Approved
0.6543	Remote Similarity	NPD8150	Discontinued
0.6531	Remote Similarity	NPD6823	Phase 2
0.6527	Remote Similarity	NPD1471	Phase 3
0.6524	Remote Similarity	NPD1933	Approved
0.6522	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD9268	Approved
0.6513	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6506	Remote Similarity	NPD3748	Approved
0.649	Remote Similarity	NPD5619	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD7907	Approved
0.6473	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6473	Remote Similarity	NPD8366	Approved
0.6471	Remote Similarity	NPD2309	Approved
0.6465	Remote Similarity	NPD8319	Approved
0.6465	Remote Similarity	NPD8320	Phase 1
0.6463	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD1613	Approved
0.6462	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD6212	Phase 3
0.6458	Remote Similarity	NPD6213	Phase 3
0.6457	Remote Similarity	NPD7028	Phase 2
0.6447	Remote Similarity	NPD5006	Approved
0.6447	Remote Similarity	NPD5005	Approved
0.6436	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6436	Remote Similarity	NPD7783	Phase 2
0.6433	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6432	Remote Similarity	NPD7211	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD2346	Discontinued
0.6429	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6415	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6404	Remote Similarity	NPD5353	Approved
0.6398	Remote Similarity	NPD5953	Discontinued
0.6369	Remote Similarity	NPD6099	Approved
0.6369	Remote Similarity	NPD7768	Phase 2
0.6369	Remote Similarity	NPD6100	Approved
0.6353	Remote Similarity	NPD6674	Discontinued
0.6351	Remote Similarity	NPD8491	Approved
0.6341	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6339	Remote Similarity	NPD5242	Approved
0.6335	Remote Similarity	NPD1470	Approved
0.6332	Remote Similarity	NPD7680	Approved
0.6328	Remote Similarity	NPD5089	Approved
0.6328	Remote Similarity	NPD5090	Approved
0.6327	Remote Similarity	NPD4420	Approved
0.6321	Remote Similarity	NPD7296	Approved
0.6316	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6316	Remote Similarity	NPD4628	Phase 3
0.6307	Remote Similarity	NPD7458	Discontinued
0.6298	Remote Similarity	NPD4665	Approved
0.6298	Remote Similarity	NPD4111	Phase 1
0.6296	Remote Similarity	NPD2798	Approved
0.629	Remote Similarity	NPD7286	Phase 2
0.625	Remote Similarity	NPD9717	Approved
0.6243	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD3300	Phase 2
0.6242	Remote Similarity	NPD3764	Approved
0.6235	Remote Similarity	NPD7266	Discontinued
0.6235	Remote Similarity	NPD1203	Approved
0.6233	Remote Similarity	NPD8067	Phase 3
0.6231	Remote Similarity	NPD2493	Approved
0.6231	Remote Similarity	NPD2494	Approved
0.6229	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD9493	Approved
0.6218	Remote Similarity	NPD4287	Approved
0.6213	Remote Similarity	NPD2799	Discontinued
0.6211	Remote Similarity	NPD3534	Clinical (unspecified phase)

Structure

CID20337 OpenBabel06191715342D 21 23 0 0 0 0 0 0 0 0999 V2000 -5.2812 2.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4152 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9511 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5491 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 2.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 1.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 2 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 16 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	129974
ChEMBL	CHEMBL477887
ZINC

Physicochemical Properties

Molecular Weight:	294.04
ALogP:	-2.2803
MLogP:	2.01
XLogP:	-0.869
# Rotatable Bonds:	6
Polar Surface Area:	111.52
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	21

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