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You are searching for "CFAMM00413265" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00413265 |
Family | CFFBM12007 Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide family |
Superfamily | CFSID41 C-C chemokine receptor type 5 Ligand Tak-220 Superfamily |
Class | CFCID25 Class 1375 |
External ID | CHEMBL2204017 |
External Source | CHEMBL |
PubChem CID |
60162473 |
Functional Category |
Bioactive |
Molecule Name |
(E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide |
IUPAC Name |
(E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide |
Synonyms |
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InChi |
InChI=1S/C29H39ClN4O2.C4H4O4/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30;5-3(6)1-2-4(7)8/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23+,25+;/m0./s1 |
InChiKey |
RLTRHXLSYYFZQH-XERDAYCXSA-N |
Formula | C33H43ClN4O6 |
Molecular Weight | 627.17 |
Cross Link | CHEMBL2204017 |
Structure |
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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).
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Last update by |
2014.08.29
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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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