General Information of the Compound
| Compound ID |
CP0458569
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| Compound Name |
4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H21ClF2N6O2
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| Molecular Weight |
522.943
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| Canonical SMILES |
CCOc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F
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| InChI |
InChI=1S/C26H21ClF2N6O2/c1-3-37-22-9-14(6-7-30-22)25-32-13(2)23(24(34-25)17-5-4-16(27)10-18(17)28)26(36)33-21-8-15-12-31-35-20(15)11-19(21)29/h4-12,24H,3H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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| InChIKey |
DSPVWAIHVFERDQ-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