General Information of the Compound
| Compound ID |
CP0561984
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| Compound Name |
3-amino-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]-5-[4-(pyridin-3-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Formula |
C24H25N7O3
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| Molecular Weight |
459.51
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C24H25N7O3/c1-2-19(32)30-13-4-3-7-18(30)23-29-20(21(22(25)33)31(23)26)15-8-10-16(11-9-15)24(34)28-17-6-5-12-27-14-17/h2,5-6,8-12,14,18H,1,3-4,7,13,26H2,(H2,25,33)(H,28,34)/t18-/m0/s1
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| InChIKey |
OJDYRGQLQDRFHN-SFHVURJKSA-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