General Information of the Compound
| Compound ID |
CP0527893
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| Compound Name |
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C29H26N6O3S
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| Molecular Weight |
538.633
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| Canonical SMILES |
O=C(N(Cc1cn(Cc2ccncc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C29H26N6O3S/c36-29(25-11-13-28(14-12-25)39(37,38)32-26-9-5-2-6-10-26)34(19-23-7-3-1-4-8-23)21-27-22-35(33-31-27)20-24-15-17-30-18-16-24/h1-18,22,32H,19-21H2
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| InChIKey |
BGLPPRDDOZREKL-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