General Information of the Compound
| Compound ID |
CP0522761
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| Compound Name |
4-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C27H21F4N5O2
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| Molecular Weight |
523.49
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| Canonical SMILES |
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C27H21F4N5O2/c1-14-23(26(37)34-18-6-10-22-16(11-18)13-32-36-22)24(20-9-5-17(12-21(20)28)27(29,30)31)35-25(33-14)15-3-7-19(38-2)8-4-15/h3-13,24H,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
UDGVPGNQAALWQS-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