General Information of the Compound
| Compound ID |
CP0846326
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-isopropyl-4-methyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C33H37N5O4S
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| Molecular Weight |
599.757
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NC(C)C)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C33H37N5O4S/c1-7-10-30-35-31-21(4)17-26(32(39)34-20(2)3)18-28(31)38(30)19-24-13-15-25(16-14-24)27-11-8-9-12-29(27)43(40,41)37-33-22(5)23(6)36-42-33/h8-9,11-18,20,37H,7,10,19H2,1-6H3,(H,34,39)
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| InChIKey |
IDXPJQIRPCXAEL-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