General Information of the Compound
| Compound ID |
CP0458571
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| Compound Name |
2-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H21F2N5O
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| Molecular Weight |
457.484
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1ccc(C)c(F)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C26H21F2N5O/c1-14-3-4-17(12-21(14)28)25-30-15(2)23(24(32-25)16-5-7-19(27)8-6-16)26(34)31-20-9-10-22-18(11-20)13-29-33-22/h3-13,24H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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| InChIKey |
AUZZJWUIAZQEBQ-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