General Information of the Compound
| Compound ID |
CP0479060
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| Compound Name |
N-(3-cyanophenyl)-3-[4-(4-methoxyquinolin-6-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]propanamide
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| Structure |
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| Formula |
C29H24N6O2
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| Molecular Weight |
488.551
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| Canonical SMILES |
COc1ccnc2ccc(cc12)-c1cn(CCC(=O)Nc2cccc(c2)C#N)nc1-c1cccc(C)n1
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| InChI |
InChI=1S/C29H24N6O2/c1-19-5-3-8-26(32-19)29-24(21-9-10-25-23(16-21)27(37-2)11-13-31-25)18-35(34-29)14-12-28(36)33-22-7-4-6-20(15-22)17-30/h3-11,13,15-16,18H,12,14H2,1-2H3,(H,33,36)
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| InChIKey |
QLHVISYIGKENNB-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