General Information of the Compound
| Compound ID |
CP0517361
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| Compound Name |
CHEMBL1669534
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| Formula |
C17H16ClF3N2O4
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| Molecular Weight |
404.772
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| Canonical SMILES |
O[C@H]1C[C@@H](O)C[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H16ClF3N2O4/c18-13-14(16(26)22-10-5-11(24)7-12(25)6-10)23-27-15(13)8-1-3-9(4-2-8)17(19,20)21/h1-4,10-12,24-25H,5-7H2,(H,22,26)/t10-,11+,12-
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| InChIKey |
IXOZIDGWAVNOFU-ZSBIGDGJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound