CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00295015" 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 CFAMM00295015
Family CFFID3631 Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family
Superfamily CFSAD173 Vasopressin V1a receptor Ligand Felypressin Superfamily
Class CFCAD168 Class 168
External ID CHEMBL306294 External Source CHEMBL
PubChem CID 44315100 Functional Category Bioactive
Molecule Name (2R)-2-[[(3S)-2-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3,3-dimethylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
IUPAC Name (2R)-2-[[(3S)-2-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3,3-dimethylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-(dimethylamino)-5-oxopentanoic acid
Synonyms CHEBI:221936
InChi InChI=1S/C26H41N5O5S/c1-26(2,3)22(28-13-18(27)15-37)24(34)31-14-17-9-7-6-8-16(17)12-20(31)23(33)29-19(25(35)36)10-11-21(32)30(4)5/h6-9,18-20,22,28,37H,10-15,27H2,1-5H3,(H,29,33)(H,35,36)/t18-,19-,20+,22-/m1/s1
Formula C26H41N5O5S Molecular Weight 535.70
Cross Link CHEMBL306294

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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