CFam Chemical Families Database
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You are searching for "CFAMM00438645" in compound.

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CFAM Mol ID CFAMM00438645
Family CFFBM16572 KiSS-1 receptor ligand SureCN5132924 family
Superfamily CFSBM6638 KiSS-1 receptor and Neuromedin-B receptor Binder Superfamily
Class CFCCD27 Class 840
External ID CHEMBL361578 External Source CHEMBL
PubChem CID 44394735 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
IUPAC Name N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
Synonyms CHEBI:409444
InChi InChI=1S/C40H44ClN9O5S/c41-27-16-14-25(15-17-27)21-33(50-39(55)34-13-7-19-56-34)38(54)49-32(20-24-8-2-1-3-9-24)37(53)47-30(12-6-18-45-40(43)44)36(52)48-31(35(42)51)22-26-23-46-29-11-5-4-10-28(26)29/h1-5,7-11,13-17,19,23,30-33,46H,6,12,18,20-22H2,(H2,42,51)(H,47,53)(H,48,52)(H,49,54)(H,50,55)(H4,43,44,45)/t30-,31-,32-,33-/m0/s1
InChiKey SVKCUBCWYZMHSZ-YRCZKMHPSA-N
Formula C40H44ClN9O5S Molecular Weight 798.35
Cross Link CHEMBL361578
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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