General Information of the Compound
| Compound ID |
CP0476729
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| Compound Name |
2-(4-(4-methoxyquinolin-6-yl-)-5-(6-methylpyridin-2-yl-)-1H-pyrazol-1-yl)-N-phenylacetamide
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| Structure |
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| Formula |
C27H23N5O2
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| Molecular Weight |
449.514
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| Canonical SMILES |
COc1ccnc2ccc(cc12)-c1cnn(CC(=O)Nc2ccccc2)c1-c1cccc(C)n1
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| InChI |
InChI=1S/C27H23N5O2/c1-18-7-6-10-24(30-18)27-22(19-11-12-23-21(15-19)25(34-2)13-14-28-23)16-29-32(27)17-26(33)31-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,31,33)
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| InChIKey |
IJIPBYSVWMXNOB-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