General Information of the Compound
| Compound ID |
CP0090326
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| Compound Name |
4-[4-fluoro-3-[(3-methylpyridin-2-yl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H24FN7O3
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| Molecular Weight |
513.533
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| Canonical SMILES |
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)
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| InChIKey |
XMXZNJPJVZOVGR-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