General Information of the Compound
| Compound ID |
CP0527892
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| Compound Name |
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C31H29N5O3S
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| Molecular Weight |
551.672
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| Canonical SMILES |
O=C(N(CCc1cn(Cc2ccccc2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C31H29N5O3S/c37-31(27-16-18-30(19-17-27)40(38,39)33-28-14-8-3-9-15-28)35(22-25-10-4-1-5-11-25)21-20-29-24-36(34-32-29)23-26-12-6-2-7-13-26/h1-19,24,33H,20-23H2
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| InChIKey |
MHHANVFFZKSSTL-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