General Information of the Compound
| Compound ID |
CP0138798
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| Compound Name |
(+/-)-5-amino-N-(2-((2,6-difluoro-N-methylbenzamido)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H19F6N5O3
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| Molecular Weight |
515.414
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| Canonical SMILES |
CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
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| InChI |
InChI=1S/C22H19F6N5O3/c1-32(20(35)17-15(24)3-2-4-16(17)25)11-21(36,22(26,27)28)10-30-19(34)14-9-31-33(18(14)29)13-7-5-12(23)6-8-13/h2-9,36H,10-11,29H2,1H3,(H,30,34)
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| InChIKey |
MVKOXOCIOJFWSG-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