CFam Chemical Families Database
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You are searching for "CFAMM00400707" 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 CFAMM00400707
Family CFFBM10252 Calcitonin gene-related peptide type 1 receptor ligand 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione family
Superfamily CFSBM213 Substance-P receptor and Calcitonin gene-related peptide type 1 receptor Binder Superfamily
Class CFCCD488 Class 1301
External ID CHEMBL2018503 External Source CHEMBL
PubChem CID 24756690 Functional Category Bioactive
Molecule Name 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
IUPAC Name 2-[(7-methyl-1H-indazol-5-yl)methyl]-4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
Synonyms SureCN13052632
InChi InChI=1S/C35H44N6O4/c1-24-19-25(21-27-23-36-38-32(24)27)20-26(33(43)41-15-9-28(10-16-41)39-13-5-2-6-14-39)22-31(42)40-17-11-35(12-18-40)29-7-3-4-8-30(29)37-34(44)45-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,38)(H,37,44)
InChiKey HTIZDEJHFFKNFM-UHFFFAOYSA-N
Formula C35H44N6O4 Molecular Weight 612.76
Cross Link CHEMBL2018503
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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