General Information of the Compound
| Compound ID |
CP0495027
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| Compound Name |
N-benzyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C28H26N6O3S2
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| Molecular Weight |
558.689
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| Canonical SMILES |
Cc1nc(Cn2cc(CN(Cc3ccccc3)C(=O)c3ccc(cc3)S(=O)(=O)Nc3ccccc3)nn2)cs1
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| InChI |
InChI=1S/C28H26N6O3S2/c1-21-29-26(20-38-21)19-34-18-25(30-32-34)17-33(16-22-8-4-2-5-9-22)28(35)23-12-14-27(15-13-23)39(36,37)31-24-10-6-3-7-11-24/h2-15,18,20,31H,16-17,19H2,1H3
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| InChIKey |
JMKNMMBASCLFQI-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