General Information of the Compound
| Compound ID |
CP0555148
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| Compound Name |
3-[4-[[methyl-[4-(phenylsulfamoyl)benzoyl]amino]methyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C24H24N2O5S
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| Molecular Weight |
452.532
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| Canonical SMILES |
CN(Cc1ccc(CCC(O)=O)cc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C24H24N2O5S/c1-26(17-19-9-7-18(8-10-19)11-16-23(27)28)24(29)20-12-14-22(15-13-20)32(30,31)25-21-5-3-2-4-6-21/h2-10,12-15,25H,11,16-17H2,1H3,(H,27,28)
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| InChIKey |
JBNJAADAOPJAQV-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