General Information of the Compound
| Compound ID |
CP0020923
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| Compound Name |
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-[6-(trifluoromethyl)pyridin-3-yl]-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H18F4N6O
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| Molecular Weight |
494.452
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C25H18F4N6O/c1-13-21(24(36)33-18-7-8-19-16(10-18)12-31-35-19)22(14-2-5-17(26)6-3-14)34-23(32-13)15-4-9-20(30-11-15)25(27,28)29/h2-12,22H,1H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
VTWIDKVFGFLBGO-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