General Information of the Compound
| Compound ID |
CP0565313
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| Compound Name |
methyl (2R)-2-(2-cyclohexylpropanoylamino)-2-[4-(2-methylpentoxy)phenyl]acetate
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| Structure |
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| Formula |
C24H37NO4
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| Molecular Weight |
403.563
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| Canonical SMILES |
CCCC(C)COc1ccc(cc1)[C@@H](NC(=O)C(C)C1CCCCC1)C(=O)OC
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| InChI |
InChI=1S/C24H37NO4/c1-5-9-17(2)16-29-21-14-12-20(13-15-21)22(24(27)28-4)25-23(26)18(3)19-10-7-6-8-11-19/h12-15,17-19,22H,5-11,16H2,1-4H3,(H,25,26)/t17?,18?,22-/m1/s1
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| InChIKey |
PCKSWTKHTHJUTP-RWWKDMOOSA-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