General Information of the Compound
| Compound ID |
CP0458568
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| Compound Name |
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methylpyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H19ClF2N6O
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| Molecular Weight |
492.917
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| Canonical SMILES |
CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F
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| InChI |
InChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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| InChIKey |
JPOJPLNOODEZLH-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