General Information of the Compound
| Compound ID |
CP0509217
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| Compound Name |
Acetic acid 4-[5-(3-cyclohexyl-propionylamino)-2-methyl-phenylcarbamoyl]-phenyl ester
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| Structure |
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| Formula |
C25H30N2O4
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| Molecular Weight |
422.525
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| Canonical SMILES |
CC(=O)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)CCC2CCCCC2)ccc1C
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| InChI |
InChI=1S/C25H30N2O4/c1-17-8-12-21(26-24(29)15-9-19-6-4-3-5-7-19)16-23(17)27-25(30)20-10-13-22(14-11-20)31-18(2)28/h8,10-14,16,19H,3-7,9,15H2,1-2H3,(H,26,29)(H,27,30)
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| InChIKey |
FOUFNSPRFFRKSN-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