General Information of the Compound
| Compound ID |
CP0414164
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| Compound Name |
methyl 2-methyl-3-[(4-methylphenyl)sulfonylamino]benzoate
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| Structure |
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| Formula |
C16H17NO4S
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| Molecular Weight |
319.382
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| Canonical SMILES |
COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C
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| InChI |
InChI=1S/C16H17NO4S/c1-11-7-9-13(10-8-11)22(19,20)17-15-6-4-5-14(12(15)2)16(18)21-3/h4-10,17H,1-3H3
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| InChIKey |
RHIIULRYLSHWDP-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