General Information of the Compound
| Compound ID |
CP0695275
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| Compound Name |
N-(2-methoxybenzyl)-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 |
C38H39N5O5S
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| Molecular Weight |
677.827
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCc3ccccc3OC)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C38H39N5O5S/c1-6-11-35-40-36-24(2)20-30(37(44)39-22-29-12-7-9-14-33(29)47-5)21-32(36)43(35)23-27-16-18-28(19-17-27)31-13-8-10-15-34(31)49(45,46)42-38-25(3)26(4)41-48-38/h7-10,12-21,42H,6,11,22-23H2,1-5H3,(H,39,44)
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| InChIKey |
ZWURYYOIIRVSAP-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