CFam Chemical Families Database
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You are searching for "CFAMM00438699" in compound.

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CFAM Mol ID CFAMM00438699
Family CFFBM16587 Vasopressin V1a receptor ligand benzyl 4,4-dimethyl-3-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanoate family
Superfamily CFSBM6875 Vasopressin V1a receptor Binder Superfamily 2
Class CFCBM1670 Class 4720
External ID CHEMBL396270 External Source CHEMBL
PubChem CID 14306032 Functional Category Bioactive
Molecule Name benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
IUPAC Name benzyl 2-(2-methyl-1,3-dioxolan-2-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
Synonyms CHEBI:490883;LY-307174
InChi InChI=1S/C33H32N2O7/c1-33(41-19-20-42-33)29(31(37)39-21-24-13-7-3-8-14-24)35-26(18-17-23-11-5-2-6-12-23)28(30(35)36)34-27(22-40-32(34)38)25-15-9-4-10-16-25/h2-18,26-29H,19-22H2,1H3/b18-17+/t26-,27-,28+,29?/m1/s1
InChiKey SVRROAFHVMFZDD-YJNJIKGQSA-N
Formula C33H32N2O7 Molecular Weight 568.62
Cross Link CHEMBL396270
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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