General Information of the Compound
| Compound ID |
CP0650864
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| Compound Name |
N-butyl-1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C34H39N5O4S
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| Molecular Weight |
613.784
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| Canonical SMILES |
CCCCNC(=O)c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)Nc4onc(C)c4C)cc3)c2c1
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| InChI |
InChI=1S/C34H39N5O4S/c1-6-8-18-35-33(40)27-19-22(3)32-29(20-27)39(31(36-32)11-7-2)21-25-14-16-26(17-15-25)28-12-9-10-13-30(28)44(41,42)38-34-23(4)24(5)37-43-34/h9-10,12-17,19-20,38H,6-8,11,18,21H2,1-5H3,(H,35,40)
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| InChIKey |
DRGUVRDBFPDYLQ-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