General Information of the Compound
| Compound ID |
CP0093074
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| Compound Name |
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxypyridin-4-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H19ClF2N6O2
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| Molecular Weight |
508.916
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| Canonical SMILES |
COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F
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| InChI |
InChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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| InChIKey |
TYHGSJHFMYWTNJ-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