General Information of the Compound
| Compound ID |
CP0478787
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| Compound Name |
3-[[2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]acetyl]amino]benzamide
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| Structure |
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| Formula |
C28H25N7O2
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| Molecular Weight |
491.555
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C(N)=O)cc1-c1ccc2nc(C)c(C)nc2c1
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| InChI |
InChI=1S/C28H25N7O2/c1-16-6-4-9-24(30-16)27-22(19-10-11-23-25(13-19)32-18(3)17(2)31-23)14-35(34-27)15-26(36)33-21-8-5-7-20(12-21)28(29)37/h4-14H,15H2,1-3H3,(H2,29,37)(H,33,36)
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| InChIKey |
NIUZIUNNOKTQGY-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