CFam Chemical Families Database
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You are searching for "CFAMM00257240" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00257240
Family CFFID2017 Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme Family
Superfamily CFSCD668 Litronesib Superfamily
Class CFCCD472 Class 1285
External ID CHEMBL319107 External Source CHEMBL
PubChem CID 44330357 Functional Category Bioactive
Molecule Name S-ethyl (3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanethioate
IUPAC Name S-ethyl (3S)-3-[[(6S,8aS)-2-benzylsulfonyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carbonyl]amino]-3-(4-aminocyclohexyl)-2-oxopropanethioate
Synonyms CHEBI:261613
InChi InChI=1S/C26H36N4O6S2/c1-2-37-26(34)24(32)23(18-8-10-19(27)11-9-18)28-25(33)21-13-12-20-14-29(15-22(31)30(20)21)38(35,36)16-17-6-4-3-5-7-17/h3-7,18-21,23H,2,8-16,27H2,1H3,(H,28,33)/t18?,19-,20-,21-,23-/m0/s1
Formula C26H36N4O6S2 Molecular Weight 564.72
Cross Link CHEMBL319107

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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