General Information of the Compound
| Compound ID |
CP0735295
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-N-(2-morpholinoethyl)-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C36H42N6O5S
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| Molecular Weight |
670.836
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCN3CCOCC3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C36H42N6O5S/c1-5-8-33-38-34-24(2)21-29(35(43)37-15-16-41-17-19-46-20-18-41)22-31(34)42(33)23-27-11-13-28(14-12-27)30-9-6-7-10-32(30)48(44,45)40-36-25(3)26(4)39-47-36/h6-7,9-14,21-22,40H,5,8,15-20,23H2,1-4H3,(H,37,43)
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| InChIKey |
XGANUVHGELJCKT-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