General Information of the Compound
| Compound ID |
CP0858017
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| Compound Name |
methyl 3-(4-(N-(4-chloro-2-(6-methyl-pyridine-3-carbonyl)phenyl)sulfamoyl)phenyl)propanoate
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| Structure |
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| Formula |
C23H21ClN2O5S
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| Molecular Weight |
472.95
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| Canonical SMILES |
COC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)nc2)cc1
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| InChI |
InChI=1S/C23H21ClN2O5S/c1-15-3-7-17(14-25-15)23(28)20-13-18(24)8-11-21(20)26-32(29,30)19-9-4-16(5-10-19)6-12-22(27)31-2/h3-5,7-11,13-14,26H,6,12H2,1-2H3
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| InChIKey |
DSTYIYJVFNISRX-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