General Information of the Compound
| Compound ID |
CP0695276
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-4-methyl-N-phenethyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C38H39N5O4S
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| Molecular Weight |
661.828
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C38H39N5O4S/c1-5-11-35-40-36-25(2)22-31(37(44)39-21-20-28-12-7-6-8-13-28)23-33(36)43(35)24-29-16-18-30(19-17-29)32-14-9-10-15-34(32)48(45,46)42-38-26(3)27(4)41-47-38/h6-10,12-19,22-23,42H,5,11,20-21,24H2,1-4H3,(H,39,44)
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| InChIKey |
SMHWDEHOXGVPME-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