General Information of the Compound
Compound ID |
CP0500838
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Compound Name |
N-(4-bromophenyl)-5-cyclopentylsulfanyl-4-phenyl-1,2,4-triazole-3-carboxamide
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Structure |
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Formula |
C20H19BrN4OS
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Molecular Weight |
443.37
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Canonical SMILES |
Brc1ccc(NC(=O)c2nnc(SC3CCCC3)n2-c2ccccc2)cc1
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InChI |
InChI=1S/C20H19BrN4OS/c21-14-10-12-15(13-11-14)22-19(26)18-23-24-20(27-17-8-4-5-9-17)25(18)16-6-2-1-3-7-16/h1-3,6-7,10-13,17H,4-5,8-9H2,(H,22,26)
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InChIKey |
GVRHQRWFMAPAMN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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