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You are searching for "CFAMM00186614" 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 | CFAMM00186614 |
| Family | CFFID293 Prothrombin Inhibitor Efegatran Family |
| Superfamily | CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily |
| Class | CFCID12 Class 1362 |
| External ID | CHEMBL2448349 |
External Source | CHEMBL |
| PubChem CID |
73352663 |
Functional Category |
Bioactive |
| Molecule Name |
[(1R)-5-amino-1-[[(2S)-1-[3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carbonyl]amino]pentyl]boronic acid;hydrochloride |
| IUPAC Name |
[(1R)-5-amino-1-[[(2S)-1-[3-[3-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carbonyl]amino]pentyl]boronic acid;hydrochloride |
| Synonyms |
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| InChi |
InChI=1S/C20H29BF3N3O4.ClH/c22-20(23,24)15-6-3-5-14(13-15)9-10-18(28)27-12-4-7-16(27)19(29)26-17(21(30)31)8-1-2-11-25;/h3,5-6,13,16-17,30-31H,1-2,4,7-12,25H2,(H,26,29);1H/t16-,17-;/m0./s1 |
| InChiKey |
CIGUZBDJDRSRLE-QJHJCNPRSA-N |
| Formula | C20H30BClF3N3O4 |
Molecular Weight | 479.73 |
| Cross Link | CHEMBL2448349 |
| 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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