CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00345756" in compound.

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CFAM Mol ID CFAMM00345756
Family CFFBM3345 Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-ynoyl]amino]-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide family
Superfamily CFSBM1911 Renin and Cathepsin D Binder Superfamily
Class CFCID697 Class 2047
External ID CHEMBL22912 External Source CHEMBL
PubChem CID 44458735 Functional Category Bioactive
Molecule Name 6-acetamido-N-[(3S)-5-[2-(2-aminoethyl)morpholin-4-yl]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-ynamide
IUPAC Name 6-acetamido-N-[(3S)-5-[2-(2-aminoethyl)morpholin-4-yl]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-ynamide
Synonyms CHEBI:129686
InChi InChI=1S/C49H61N5O6/c1-34(55)51-26-10-9-23-44(49(59)53-45(29-35-13-3-2-4-14-35)46(56)32-47(57)54-27-28-60-41(33-54)24-25-50)52-48(58)40(30-38-19-11-17-36-15-5-7-21-42(36)38)31-39-20-12-18-37-16-6-8-22-43(37)39/h5-8,11-12,15-22,35,40-41,44-46,56H,2-4,13-14,23-33,50H2,1H3,(H,51,55)(H,52,58)(H,53,59)/t41?,44?,45?,46-/m0/s1
Formula C49H61N5O6 Molecular Weight 816.04
Cross Link CHEMBL22912

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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