General Information of the Compound
| Compound ID |
CP0458727
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| Compound Name |
(R)-3-Cyclohexylmethylsulfanyl-2-[(thiazole-4-carbonyl)-amino]-propionic acid 4-methoxy-benzyl ester
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| Structure |
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| Formula |
C22H28N2O4S2
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| Molecular Weight |
448.61
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)c2cscn2)cc1
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| InChI |
InChI=1S/C22H28N2O4S2/c1-27-18-9-7-16(8-10-18)11-28-22(26)20(24-21(25)19-13-30-15-23-19)14-29-12-17-5-3-2-4-6-17/h7-10,13,15,17,20H,2-6,11-12,14H2,1H3,(H,24,25)/t20-/m0/s1
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| InChIKey |
CMHCLXQVGOSSQM-FQEVSTJZSA-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