CFam Chemical Families Database
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You are searching for "CFAMM00238726" in compound.

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CFAM Mol ID CFAMM00238726
Family CFFID1427 Cyclin-dependent kinase 1 and G2/mitotic-specific cyclin-B1 Inhibitor 3,4-bis(indol-3-yl)maleimide Derivative Family
Superfamily CFSAD196 peptide hormone receptor ligand peptide Pentagastrin Octreotide Superfamily
Class CFCAD189 Class 189
External ID DNC004422 External Source TTD
PubChem CID 10033891 Functional Category Investigative Drug
Molecule Name 3,4-bis(indol-3-yl)maleimide derivative
IUPAC Name (2S)-1-[(2R)-2-acetamido-3-[2-[2-[2-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethoxy]ethylsulfanyl]propanoyl]-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Synonyms CHEBI:102562;DNC004422;3,4-bis(indol-3-yl)maleimide derivative
InChi InChI=1S/C49H66N10O9S/c1-31(60)54-39(49(66)59-21-11-18-41(59)46(63)56-38(16-8-10-20-51)45(62)55-37(44(61)52-2)15-7-9-19-50)30-69-27-26-68-25-24-67-23-22-58-29-35(33-13-4-6-17-40(33)58)43-42(47(64)57-48(43)65)34-28-53-36-14-5-3-12-32(34)36/h3-6,12-14,17,28-29,37-39,41,53H,7-11,15-16,18-27,30,50-51H2,1-2H3,(H,52,61)(H,54,60)(H,55,62)(H,56,63)(H,57,64,65)/t37-,38-,39-,41-/m0/s1
InChiKey HOAREJUGBLUUJD-MJSJRNKMSA-N
Formula C49H66N10O9S Molecular Weight 971.17
Cross Link CHEMBL7364
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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