General Information of the Compound
| Compound ID |
CP0562563
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| Compound Name |
N-[2-[4-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazol-2-yl]-4-piperazin-1-ylphenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C23H29N7O3S2
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| Molecular Weight |
515.665
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| Canonical SMILES |
CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCNCC1
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| InChI |
InChI=1S/C23H29N7O3S2/c1-35(32,33)30-10-2-3-16(14-30)20-15-34-23(28-20)18-13-17(29-11-8-24-9-12-29)4-5-19(18)27-22(31)21-25-6-7-26-21/h4-7,13,15-16,24H,2-3,8-12,14H2,1H3,(H,25,26)(H,27,31)/t16-/m0/s1
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| InChIKey |
GHWNTRWSUYAOCV-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