General Information of the Compound
| Compound ID |
CP0543439
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| Compound Name |
N-benzyl-N-[[1-[(2-chlorophenyl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C30H26ClN5O3S
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| Molecular Weight |
572.09
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| Canonical SMILES |
Clc1ccccc1Cn1cc(CN(Cc2ccccc2)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)nn1
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| InChI |
InChI=1S/C30H26ClN5O3S/c31-29-14-8-7-11-25(29)20-36-22-27(32-34-36)21-35(19-23-9-3-1-4-10-23)30(37)24-15-17-28(18-16-24)40(38,39)33-26-12-5-2-6-13-26/h1-18,22,33H,19-21H2
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| InChIKey |
OYNRZTXCSUROSS-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