General Information of the Compound
| Compound ID |
CP0547462
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| Compound Name |
3-amino-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]-5-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C23H24N8O3
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| Molecular Weight |
460.498
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cccnn1
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| InChI |
InChI=1S/C23H24N8O3/c1-2-18(32)30-13-4-3-6-16(30)22-28-19(20(21(24)33)31(22)25)14-8-10-15(11-9-14)23(34)27-17-7-5-12-26-29-17/h2,5,7-12,16H,1,3-4,6,13,25H2,(H2,24,33)(H,27,29,34)/t16-/m0/s1
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| InChIKey |
XAHHMDNGEPLFAQ-INIZCTEOSA-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