CFam Chemical Families Database
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You are searching for "CFAMM00253590" 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 CFAMM00253590
Family CFFID1898 Caspase-1 Inhibitor Z-vad-cho Family
Superfamily CFSAD675 Serum albumin Inhibitor Gadobenate Dimeglumine Superfamily
Class CFCAD610 Class 610
External ID DNC012832 External Source TTD
PubChem CID 44388151 Functional Category Investigative Drug
Molecule Name Cbz-Ile-Leu-L-(difluoro)aminobutyric acid
IUPAC Name 5,5-difluoro-3-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-2-oxopentanoic acid
Synonyms CHEBI:398137;DNC012832;Cbz-Ile-Leu-L-(difluoro)aminobutyric acid
InChi InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15?,17?,18-,20-/m0/s1
InChiKey IXLOEMUNKMDCDV-IVJQXSGXSA-N
Formula C25H35F2N3O7 Molecular Weight 527.56
Cross Link CHEMBL175623
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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