General Information of the Compound
| Compound ID |
CP0543438
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| Compound Name |
N-benzyl-N-[[1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C27H26N6O5S
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| Molecular Weight |
546.609
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| Canonical SMILES |
O=C(N(Cc1cn(CC2CNC(=O)O2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C27H26N6O5S/c34-26(21-11-13-25(14-12-21)39(36,37)30-22-9-5-2-6-10-22)32(16-20-7-3-1-4-8-20)17-23-18-33(31-29-23)19-24-15-28-27(35)38-24/h1-14,18,24,30H,15-17,19H2,(H,28,35)
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| InChIKey |
CLXSFXMARKPVQQ-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
Protein ID: PT02178, LIM domain kinase 1
Protein ID: PT01347, LIM domain kinase 2