General Information of the Compound
| Compound ID |
CP0496141
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| Compound Name |
(R)-3-Cyclohexylmethylsulfanyl-2-(3-methyl-butyrylamino)-propionic acid 4-methoxy-benzyl ester
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| Structure |
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| Formula |
C23H35NO4S
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| Molecular Weight |
421.603
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)CC(C)C)cc1
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| InChI |
InChI=1S/C23H35NO4S/c1-17(2)13-22(25)24-21(16-29-15-19-7-5-4-6-8-19)23(26)28-14-18-9-11-20(27-3)12-10-18/h9-12,17,19,21H,4-8,13-16H2,1-3H3,(H,24,25)/t21-/m0/s1
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| InChIKey |
AISIALODNZSDFP-NRFANRHFSA-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