General Information of the Compound
| Compound ID |
CP0075077
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| Compound Name |
4-[3-[[2,6-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-fluorophenyl]-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 |
C29H21F7N6O3
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| Molecular Weight |
634.512
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| Canonical SMILES |
CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)
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| InChIKey |
WYUIOBMKPJWABA-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