CFam Chemical Families Database
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You are searching for "CFAMM00433015" 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 CFAMM00433015
Family CFFBM15248 Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-4-oxo-1-[4-(4-phenylmethoxybenzoyl)piperazine-1-carbonyl]-3-(piperidin-4-ylmethyl)azetidine-2-carboxylic acid family
Superfamily CFSBM642 Tryptase delta and Tryptase alpha/beta-1 Binder Superfamily 3
Class CFCBM241 Class 3291
External ID CHEMBL74179 External Source CHEMBL
PubChem CID 44311670 Functional Category Bioactive
Molecule Name (2S,3R)-1-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazine-1-carbonyl]-4-oxo-3-(piperidin-4-ylmethyl)azetidine-2-carboxylic acid
IUPAC Name (2S,3R)-1-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazine-1-carbonyl]-4-oxo-3-(piperidin-4-ylmethyl)azetidine-2-carboxylic acid
Synonyms CHEBI:214441
InChi InChI=1S/C24H30N4O7/c29-20(13-16-1-2-18-19(12-16)35-14-34-18)26-7-9-27(10-8-26)24(33)28-21(23(31)32)17(22(28)30)11-15-3-5-25-6-4-15/h1-2,12,15,17,21,25H,3-11,13-14H2,(H,31,32)/t17-,21+/m1/s1
InChiKey XHLXQXUIYFXGME-UTKZUKDTSA-N
Formula C24H30N4O7 Molecular Weight 486.52
Cross Link CHEMBL74179
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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