General Information of the Compound
| Compound ID |
CP0562564
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| Compound Name |
N-[4-[2-(dimethylamino)ethoxy]-2-[4-[(3S)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazol-2-yl]phenyl]-1H-imidazole-2-carboxamide
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| Structure |
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| Formula |
C23H30N6O4S2
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| Molecular Weight |
518.665
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| Canonical SMILES |
CN(C)CCOc1ccc(NC(=O)c2ncc[nH]2)c(c1)-c1nc(cs1)[C@H]1CCCN(C1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30N6O4S2/c1-28(2)11-12-33-17-6-7-19(26-22(30)21-24-8-9-25-21)18(13-17)23-27-20(15-34-23)16-5-4-10-29(14-16)35(3,31)32/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,24,25)(H,26,30)/t16-/m0/s1
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| InChIKey |
WMMHOXRQKHFRAB-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