General Information of the Compound
| Compound ID |
CP0131477
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| Compound Name |
methyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate
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| Structure |
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| Formula |
C29H25N5O5
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| Molecular Weight |
523.549
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cn3ccnc3c(Nc3ccc(OC)c(OC)c3)n2)cc1
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| InChI |
InChI=1S/C29H25N5O5/c1-37-24-12-11-22(16-25(24)38-2)31-26-27-30-13-14-34(27)17-23(33-26)19-5-4-6-20(15-19)28(35)32-21-9-7-18(8-10-21)29(36)39-3/h4-17H,1-3H3,(H,31,33)(H,32,35)
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| InChIKey |
YOPAYVFARYKQBD-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