General Information of the Compound
| Compound ID |
CP0527895
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| Compound Name |
N-benzyl-N-[[1-[(3,4-dichlorophenyl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C30H25Cl2N5O3S
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| Molecular Weight |
606.535
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| Canonical SMILES |
Clc1ccc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cc1Cl
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| InChI |
InChI=1S/C30H25Cl2N5O3S/c31-28-16-11-23(17-29(28)32)19-37-21-26(33-35-37)20-36(18-22-7-3-1-4-8-22)30(38)24-12-14-27(15-13-24)41(39,40)34-25-9-5-2-6-10-25/h1-17,21,34H,18-20H2
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| InChIKey |
BTPBENYBEKUTRG-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