General Information of the Compound
| Compound ID |
CP0558566
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| Compound Name |
3-amino-2-[(1-prop-2-enoylpiperidin-4-yl)methyl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H27N7O3
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| Molecular Weight |
473.537
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| Canonical SMILES |
NC(=O)c1c(nc(CC2CCN(CC2)C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C25H27N7O3/c1-2-21(33)31-13-10-16(11-14-31)15-20-30-22(23(24(26)34)32(20)27)17-6-8-18(9-7-17)25(35)29-19-5-3-4-12-28-19/h2-9,12,16H,1,10-11,13-15,27H2,(H2,26,34)(H,28,29,35)
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| InChIKey |
IVKOTDQZUPICDD-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