General Information of the Compound
| Compound ID |
CP0051488
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| Compound Name |
N-[2-[4-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazol-2-yl]-4-morpholin-4-ylphenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C23H28N6O4S2
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| Molecular Weight |
516.649
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| Canonical SMILES |
CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C23H28N6O4S2/c1-35(31,32)29-8-2-3-16(14-29)20-15-34-23(27-20)18-13-17(28-9-11-33-12-10-28)4-5-19(18)26-22(30)21-24-6-7-25-21/h4-7,13,15-16H,2-3,8-12,14H2,1H3,(H,24,25)(H,26,30)/t16-/m0/s1
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| InChIKey |
LQDVRJVSNWFSRK-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