General Information of the Compound
| Compound ID |
CP0867811
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-2-propyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C36H42N6O4S
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| Molecular Weight |
654.837
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCN3CCCC3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C36H42N6O4S/c1-5-10-33-38-34-24(2)21-29(35(43)37-17-20-41-18-8-9-19-41)22-31(34)42(33)23-27-13-15-28(16-14-27)30-11-6-7-12-32(30)47(44,45)40-36-25(3)26(4)39-46-36/h6-7,11-16,21-22,40H,5,8-10,17-20,23H2,1-4H3,(H,37,43)
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| InChIKey |
UMXDYWASOWPJRM-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