General Information of the Compound
| Compound ID |
CP0465028
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| Compound Name |
methyl (2R)-2-[[2-(4-cyanophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
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| Structure |
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| Formula |
C24H28N2O4
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| Molecular Weight |
408.498
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)Cc1ccc(cc1)C#N)C(=O)OC
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| InChI |
InChI=1S/C24H28N2O4/c1-4-5-17(2)16-30-21-12-10-20(11-13-21)23(24(28)29-3)26-22(27)14-18-6-8-19(15-25)9-7-18/h6-13,17,23H,4-5,14,16H2,1-3H3,(H,26,27)/t17?,23-/m1/s1
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| InChIKey |
MCYNFUYXISWWRG-IRCUZVAFSA-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