General Information of the Compound
| Compound ID |
CP0946755
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| Compound Name |
N-(3,4-dimethoxyphenethyl)-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 |
C40H43N5O6S
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| Molecular Weight |
721.88
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C40H43N5O6S/c1-7-10-37-42-38-25(2)21-31(39(46)41-20-19-28-15-18-34(49-5)35(22-28)50-6)23-33(38)45(37)24-29-13-16-30(17-14-29)32-11-8-9-12-36(32)52(47,48)44-40-26(3)27(4)43-51-40/h8-9,11-18,21-23,44H,7,10,19-20,24H2,1-6H3,(H,41,46)
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| InChIKey |
VOOZKNNXDHEWQO-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