General Information of the Compound
| Compound ID |
CP0423683
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| Compound Name |
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylazetidine-2-carboxamide
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| Structure |
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| Formula |
C21H21N3O4S2
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| Molecular Weight |
443.55
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)C2CCN2S(=O)(=O)c2ccc(C)cc2)n1
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| InChI |
InChI=1S/C21H21N3O4S2/c1-14-3-9-17(10-4-14)30(26,27)24-12-11-19(24)20(25)23-21-22-18(13-29-21)15-5-7-16(28-2)8-6-15/h3-10,13,19H,11-12H2,1-2H3,(H,22,23,25)
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| InChIKey |
VLXGLYHQIPMJHK-UHFFFAOYSA-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