General Information of the Compound
| Compound ID |
CP0071189
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| Compound Name |
5-amino-N-(2-((2,6-difluoro-N-(2-hydroxyethyl)benzamido)methyl)-3,3,3-trifluoro-2-hydroxypropyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H21F6N5O4
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| Molecular Weight |
545.44
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F
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| InChI |
InChI=1S/C23H21F6N5O4/c24-13-4-6-14(7-5-13)34-19(30)15(10-32-34)20(36)31-11-22(38,23(27,28)29)12-33(8-9-35)21(37)18-16(25)2-1-3-17(18)26/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)
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| InChIKey |
DWMFXLXZBXBWJX-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