CFam Chemical Families Database
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You are searching for "CFAMM00434531" 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 CFAMM00434531
Family CFFBM15518 Substance-K receptor and Substance-P receptor ligand 3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-diazinan-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide family
Superfamily CFSBM6625 Substance-K receptor and Substance-P receptor Binder Superfamily 11
Class CFCBM1486 Class 4536
External ID CHEMBL76580 External Source CHEMBL
PubChem CID 9896757 Functional Category Bioactive
Molecule Name 3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-diazinan-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
IUPAC Name 3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[2-oxo-3-(pyridin-2-ylmethyl)-1,3-diazinan-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
Synonyms CHEBI:223024
InChi InChI=1S/C35H40Cl4N6O3/c1-42(34(46)25-18-26(36)21-27(37)19-25)23-33(41-48-2)30(24-7-8-31(38)32(39)20-24)11-17-43-15-9-29(10-16-43)45-14-5-13-44(35(45)47)22-28-6-3-4-12-40-28/h3-4,6-8,12,18-21,29-30H,5,9-11,13-17,22-23H2,1-2H3/b41-33+/t30-/m1/s1
InChiKey XUGHCVWAIHDURA-KADXFBGESA-N
Formula C35H40Cl4N6O3 Molecular Weight 734.54
Cross Link CHEMBL76580
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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