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You are searching for "CFAMM00412661" 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 | CFAMM00412661 |
| Family | CFFBM11934 B1 bradykinin receptor ligand methyl 2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate family |
| Superfamily | CFSBM401 Cathepsin S and B1 bradykinin receptor Binder Superfamily |
| Class | CFCBM156 Class 3206 |
| External ID | CHEMBL2096845 |
External Source | CHEMBL |
| PubChem CID |
10311064 |
Functional Category |
Bioactive |
| Molecule Name |
methyl 2-fluoro-6-[3-fluoro-4-[(1S)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate |
| IUPAC Name |
methyl 2-fluoro-6-[3-fluoro-4-[(1S)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate |
| Synonyms |
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| InChi |
InChI=1S/C23H21F5N2O4/c1-12(29-21(33)22(8-9-22)30-18(31)11-23(26,27)28)14-7-6-13(10-17(14)25)15-4-3-5-16(24)19(15)20(32)34-2/h3-7,10,12H,8-9,11H2,1-2H3,(H,29,33)(H,30,31)/t12-/m0/s1 |
| InChiKey |
DJQUIJAELZJTLQ-LBPRGKRZSA-N |
| Formula | C23H21F5N2O4 |
Molecular Weight | 484.42 |
| Cross Link | CHEMBL2096845 |
| 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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