General Information of the Compound
| Compound ID |
CP0547158
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| Compound Name |
3-amino-5-[4-(phenylcarbamoyl)phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide
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| Formula |
C25H26N6O3
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| Molecular Weight |
458.522
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C25H26N6O3/c1-2-20(32)30-15-7-6-10-19(30)24-29-21(22(23(26)33)31(24)27)16-11-13-17(14-12-16)25(34)28-18-8-4-3-5-9-18/h2-5,8-9,11-14,19H,1,6-7,10,15,27H2,(H2,26,33)(H,28,34)/t19-/m0/s1
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| InChIKey |
NDHHSDNAJZXRBK-IBGZPJMESA-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