General Information of the Compound
| Compound ID |
CP0145326
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| Compound Name |
5-amino-N-[2-[[(4-chlorobenzoyl)-ethylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H22ClF4N5O3
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| Molecular Weight |
527.906
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| Canonical SMILES |
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H22ClF4N5O3/c1-2-32(21(35)14-3-5-15(24)6-4-14)13-22(36,23(26,27)28)12-30-20(34)18-11-31-33(19(18)29)17-9-7-16(25)8-10-17/h3-11,36H,2,12-13,29H2,1H3,(H,30,34)
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| InChIKey |
IQALTGXHTYVRJX-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