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You are searching for "CFAMM00388038" 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 | CFAMM00388038 |
| Family | CFFBM8451 Dipeptidyl peptidase 8 inhibitor (2S)-2-amino-4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(5-fluoro-1,3-dihydroisoindol-2-yl)butane-1,4-dione;2,2,2-trifluoroacetic acid family |
| Superfamily | CFSCD302 Substance-P receptor Ligand Orvepitant Superfamily |
| Class | CFCCD223 Class 1036 |
| External ID | CHEMBL1779696 |
External Source | CHEMBL |
| PubChem CID |
54587462 |
Functional Category |
Bioactive |
| Molecule Name |
2-[[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-oxopiperazin-1-yl]methyl]benzonitrile |
| IUPAC Name |
2-[[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-oxopiperazin-1-yl]methyl]benzonitrile |
| Synonyms |
CHEBI:1248171 |
| InChi |
InChI=1S/C22H21F3N4O2/c23-18-10-20(25)19(24)8-16(18)7-17(27)9-21(30)29-6-5-28(22(31)13-29)12-15-4-2-1-3-14(15)11-26/h1-4,8,10,17H,5-7,9,12-13,27H2/t17-/m1/s1 |
| InChiKey |
BQLQJJYOUIPPNQ-QGZVFWFLSA-N |
| Formula | C22H21F3N4O2 |
Molecular Weight | 430.42 |
| Cross Link | CHEMBL1779696 |
| 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.
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How to cite our database |
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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 |
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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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