General Information of the Compound
| Compound ID |
CP0547624
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| Compound Name |
N-benzyl-4-[(3-chlorophenyl)sulfamoyl]-N-prop-2-ynylbenzamide
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| Structure |
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| Formula |
C23H19ClN2O3S
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| Molecular Weight |
438.936
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| Canonical SMILES |
Clc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(CC#C)Cc2ccccc2)c1
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| InChI |
InChI=1S/C23H19ClN2O3S/c1-2-15-26(17-18-7-4-3-5-8-18)23(27)19-11-13-22(14-12-19)30(28,29)25-21-10-6-9-20(24)16-21/h1,3-14,16,25H,15,17H2
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| InChIKey |
JIQRSOXWOSCNGR-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