General Information of the Compound
| Compound ID |
CP0564487
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| Compound Name |
N-benzyl-N-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]-4-(phenylsulfamoyl)benzamide
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| Structure |
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| Formula |
C30H26N8O3S
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| Molecular Weight |
578.658
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| Canonical SMILES |
O=C(N(Cc1cn(Cc2cn3cccnc3n2)nn1)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C30H26N8O3S/c39-29(24-12-14-28(15-13-24)42(40,41)34-25-10-5-2-6-11-25)37(18-23-8-3-1-4-9-23)20-27-22-38(35-33-27)21-26-19-36-17-7-16-31-30(36)32-26/h1-17,19,22,34H,18,20-21H2
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| InChIKey |
SXUFGUQQFYCNHW-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