General Information of the Compound
| Compound ID |
CP0279342
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| Compound Name |
4-(4-chloro-2-fluorophenyl)-N-(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 |
C25H20ClFN6O2
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| Molecular Weight |
490.926
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| Canonical SMILES |
COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C25H20ClFN6O2/c1-13-22(25(34)31-17-4-6-20-15(9-17)12-29-33-20)23(18-5-3-16(26)11-19(18)27)32-24(30-13)14-7-8-28-21(10-14)35-2/h3-12,23H,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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| InChIKey |
XJEJCCXXTNIOJF-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