General Information of the Compound
| Compound ID |
CP0950354
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-N-phenyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C36H35N5O4S
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| Molecular Weight |
633.774
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)Nc3ccccc3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C36H35N5O4S/c1-5-11-33-38-34-23(2)20-28(35(42)37-29-12-7-6-8-13-29)21-31(34)41(33)22-26-16-18-27(19-17-26)30-14-9-10-15-32(30)46(43,44)40-36-24(3)25(4)39-45-36/h6-10,12-21,40H,5,11,22H2,1-4H3,(H,37,42)
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| InChIKey |
LOQUVMNOTIXNAQ-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