CFam Chemical Families Database
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You are searching for "CFAMM00528528" in compound.

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CFAM Mol ID CFAMM00528528
Family CFFBM46728 Protease and Capsid scaffolding protein inhibitor AC1LAQWS family
Superfamily CFSBM2385 Protease and Capsid scaffolding protein Binder Superfamily
Class CFCCD444 Class 1257
External ID CHEMBL45799 External Source CHEMBL
PubChem CID 493468 Functional Category Bioactive
Molecule Name AC1LAQWS
IUPAC Name (3aS,6S,6aR)-1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-4-(1,3-thiazol-2-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
Synonyms SureCN7412379;CHEBI:172049;(3aS,6S,6aR)-1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-4-(1,3-thiazol-2-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;Pyrrolo[3,2-b]pyrrol-2(1H)-one,4-[[(2S)-1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-2-pyrrolidinyl]carbonyl]hexahydro-3-methyl-1-(2-thiazolyl)-, (3S,3aR,6aS)-
InChi InChI=1S/C27H31N5O4S2/c1-17-24-21(32(25(17)33)27-28-13-16-37-27)12-15-30(24)26(34)22-10-6-14-31(22)38(35,36)23-11-5-7-18-19(23)8-4-9-20(18)29(2)3/h4-5,7-9,11,13,16-17,21-22,24H,6,10,12,14-15H2,1-3H3/t17-,21-,22-,24+/m0/s1
Formula C27H31N5O4S2 Molecular Weight 553.70
Cross Link CHEMBL45799

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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