CFam Chemical Families Database
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You are searching for "CFAMM00039692" in compound.

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CFAM Mol ID CFAMM00039692
Family CFFAD224 Oxytocin receptor Ligand Oxytocin Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL436319 External Source CHEMBL
PubChem CID 44404162 Functional Category Bioactive
Molecule Name [4-[(2S)-2-acetamido-3-[[(2S)-1-[(1R,2S,5S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate
IUPAC Name [4-[(2S)-2-acetamido-3-[[(2S)-1-[(1R,2S,5S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate
Synonyms
InChi InChI=1S/C32H48N7O12P/c1-15(2)11-24(37-30(45)23(35-17(4)41)12-18-5-7-20(8-6-18)51-52(48,49)50)32(47)39-14-19-13-21(19)27(39)31(46)36-22(9-10-25(33)42)29(44)38-26(16(3)40)28(34)43/h5-8,15-16,19,21-24,26-27,40H,9-14H2,1-4H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t16-,19-,21-,22+,23+,24+,26+,27+/m1/s1
InChiKey UQQQVGZCKOVSIT-LVSCSGSUSA-N
Formula C32H48N7O12P Molecular Weight 753.74
Cross Link CHEMBL436319
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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