General Information of the Compound
| Compound ID |
CP0491430
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| Compound Name |
3-amino-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]-5-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C22H23N7O3S
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| Molecular Weight |
465.539
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1nccs1
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| InChI |
InChI=1S/C22H23N7O3S/c1-2-16(30)28-11-4-3-5-15(28)20-26-17(18(19(23)31)29(20)24)13-6-8-14(9-7-13)21(32)27-22-25-10-12-33-22/h2,6-10,12,15H,1,3-5,11,24H2,(H2,23,31)(H,25,27,32)/t15-/m0/s1
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| InChIKey |
VIUSSXGWMVELPU-HNNXBMFYSA-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