CFam Chemical Families Database
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You are searching for "CFAMM00212793" in compound.

Total 1 results found.

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 CFAMM00212793
Family CFFID505 C-X-C chemokine receptor type 2 Ligand Sb 272844 Family
Superfamily CFSID409 C-X-C chemokine receptor type 2 Ligand Sb 272844 Superfamily
Class CFCAD5 Class 5
External ID CHEMBL554353 External Source CHEMBL
PubChem CID 45264971 Functional Category Bioactive
Molecule Name SureCN6972508
IUPAC Name N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxamide;hydrochloride
Synonyms AGN-PC-07C25I;N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-indole-2-carboxamide;hydrochloride
InChi InChI=1S/C41H44Cl2N12O5.ClH/c1-52-22-28(18-33(52)39(58)46-13-10-36(44)45)49-41(60)35-20-29(23-54(35)3)50-40(59)34-19-27(21-53(34)2)48-38(57)32-17-25-16-26(6-9-31(25)51-32)47-37(56)24-4-7-30(8-5-24)55(14-11-42)15-12-43;/h4-9,16-23,51H,10-15H2,1-3H3,(H3,44,45)(H,46,58)(H,47,56)(H,48,57)(H,49,60)(H,50,59);1H
InChiKey RGZJNUTXKQTXHX-UHFFFAOYSA-N
Formula C41H45Cl3N12O5 Molecular Weight 892.23
Cross Link CHEMBL554353
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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