General Information of the Compound
| Compound ID |
CP0310475
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| Compound Name |
5-amino-N-[2-[[(2,6-difluorobenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C21H17F6N5O3
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| Molecular Weight |
501.387
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| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CNC(=O)c1c(F)cccc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H17F6N5O3/c22-11-4-6-12(7-5-11)32-17(28)13(8-31-32)18(33)29-9-20(35,21(25,26)27)10-30-19(34)16-14(23)2-1-3-15(16)24/h1-8,35H,9-10,28H2,(H,29,33)(H,30,34)
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| InChIKey |
PJQIOELKQZILCS-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