General Information of the Compound
| Compound ID |
CP0510267
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| Compound Name |
(R)-2-Amino-3-cyclohexylmethylsulfanyl-propionic acid 4-methoxy-benzyl ester
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| Structure |
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| Formula |
C18H27NO3S
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| Molecular Weight |
337.485
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| Canonical SMILES |
COc1ccc(COC(=O)[C@@H](N)CSCC2CCCCC2)cc1
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| InChI |
InChI=1S/C18H27NO3S/c1-21-16-9-7-14(8-10-16)11-22-18(20)17(19)13-23-12-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13,19H2,1H3/t17-/m0/s1
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| InChIKey |
KOQGGGZFCVKAOK-KRWDZBQOSA-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