General Information of the Compound
| Compound ID |
CP0650865
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| Compound Name |
1-((2'-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)-[1,1'-biphenyl]-4-yl)methyl)-N-(3-methoxyphenethyl)-4-methyl-2-propyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C39H41N5O5S
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| Molecular Weight |
691.854
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
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| InChI |
InChI=1S/C39H41N5O5S/c1-6-10-36-41-37-25(2)21-31(38(45)40-20-19-28-11-9-12-32(22-28)48-5)23-34(37)44(36)24-29-15-17-30(18-16-29)33-13-7-8-14-35(33)50(46,47)43-39-26(3)27(4)42-49-39/h7-9,11-18,21-23,43H,6,10,19-20,24H2,1-5H3,(H,40,45)
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| InChIKey |
SDYJMHYOIVOVJZ-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