General Information of the Compound
| Compound ID |
CP0090802
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| Compound Name |
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[4-(methylsulfonylcarbamoyl)phenyl]benzamide
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| Structure |
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| Formula |
C29H26N6O6S
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| Molecular Weight |
586.63
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| Canonical SMILES |
COc1ccc(Nc2nc(cn3ccnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(=O)NS(C)(=O)=O)cc1OC
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| InChI |
InChI=1S/C29H26N6O6S/c1-40-24-12-11-22(16-25(24)41-2)31-26-27-30-13-14-35(27)17-23(33-26)19-5-4-6-20(15-19)28(36)32-21-9-7-18(8-10-21)29(37)34-42(3,38)39/h4-17H,1-3H3,(H,31,33)(H,32,36)(H,34,37)
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| InChIKey |
CBEAPZSYPCJPJW-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