General Information of the Compound
| Compound ID |
CP0561563
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| Compound Name |
4-[4-[(1H-indol-2-ylsulfonylamino)methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C22H18N2O4S
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| Molecular Weight |
406.463
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C22H18N2O4S/c25-22(26)18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-23-29(27,28)21-13-19-3-1-2-4-20(19)24-21/h1-13,23-24H,14H2,(H,25,26)
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| InChIKey |
DUIUDFJWVOCDQY-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