General Information of the Compound
| Compound ID |
CP0510303
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| Compound Name |
(R)-2-(Cyclohexanecarbonyl-amino)-3-cyclohexylmethylsulfanyl-propionic acid 4-methoxy-benzyl ester
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| Structure |
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| Formula |
C25H37NO4S
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| Molecular Weight |
447.641
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCCC2)cc1
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| InChI |
InChI=1S/C25H37NO4S/c1-29-22-14-12-19(13-15-22)16-30-25(28)23(18-31-17-20-8-4-2-5-9-20)26-24(27)21-10-6-3-7-11-21/h12-15,20-21,23H,2-11,16-18H2,1H3,(H,26,27)/t23-/m0/s1
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| InChIKey |
ZKUCECSKVYRNEE-QHCPKHFHSA-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