General Information of the Compound
| Compound ID |
CP0456127
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| Compound Name |
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyrazin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C23H18FN7O
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| Molecular Weight |
427.443
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1cnccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32)
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| InChIKey |
IWILYSVOZLQCHZ-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