General Information of the Compound
| Compound ID |
CP0117595
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| Compound Name |
5-amino-N-[2-[[ethyl-(2-fluorobenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22F5N5O3
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| Molecular Weight |
511.451
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F
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| InChI |
InChI=1S/C23H22F5N5O3/c1-2-32(21(35)16-5-3-4-6-18(16)25)13-22(36,23(26,27)28)12-30-20(34)17-11-31-33(19(17)29)15-9-7-14(24)8-10-15/h3-11,36H,2,12-13,29H2,1H3,(H,30,34)
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| InChIKey |
YRQHAHHQNLWCGW-UHFFFAOYSA-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