CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00212790" 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 CFAMM00212790
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 CHEMBL552690 External Source CHEMBL
PubChem CID 45261070 Functional Category Bioactive
Molecule Name AGN-PC-07BZGM
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]-6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxamide;hydrochloride
Synonyms SureCN6977238;N-[5-[[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-6-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1H-benzimidazole-2-carboxamide;hydrochloride
InChi InChI=1S/C40H43Cl2N13O5.ClH/c1-52-20-25(17-31(52)37(57)45-13-10-34(43)44)47-38(58)32-18-26(21-53(32)2)48-39(59)33-19-27(22-54(33)3)49-40(60)35-50-29-9-6-24(16-30(29)51-35)46-36(56)23-4-7-28(8-5-23)55(14-11-41)15-12-42;/h4-9,16-22H,10-15H2,1-3H3,(H3,43,44)(H,45,57)(H,46,56)(H,47,58)(H,48,59)(H,49,60)(H,50,51);1H
Formula C40H44Cl3N13O5 Molecular Weight 893.22
Cross Link CHEMBL552690

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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National University of Singapore, Singapore

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