General Information of the Compound
| Compound ID |
CP0442102
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| Compound Name |
methyl 3-[[2-cyclohexylethyl(3,3-diphenylpropyl)carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C32H38N2O3
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| Molecular Weight |
498.667
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCC2CCCCC2)c1
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| InChI |
InChI=1S/C32H38N2O3/c1-37-31(35)28-18-11-19-29(24-28)33-32(36)34(22-20-25-12-5-2-6-13-25)23-21-30(26-14-7-3-8-15-26)27-16-9-4-10-17-27/h3-4,7-11,14-19,24-25,30H,2,5-6,12-13,20-23H2,1H3,(H,33,36)
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| InChIKey |
BOMBPAKGWZYNAC-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