General Information of the Compound
| Compound ID |
CP0523963
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| Compound Name |
(R)-3-Cyclohexylmethylsulfanyl-2-(cyclopentanecarbonyl-amino)-propionic acid 4-methoxy-benzyl ester
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| Structure |
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| Formula |
C24H35NO4S
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| Molecular Weight |
433.614
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCC2)cc1
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| InChI |
InChI=1S/C24H35NO4S/c1-28-21-13-11-18(12-14-21)15-29-24(27)22(25-23(26)20-9-5-6-10-20)17-30-16-19-7-3-2-4-8-19/h11-14,19-20,22H,2-10,15-17H2,1H3,(H,25,26)/t22-/m0/s1
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| InChIKey |
BPEYIOCYFULLJL-QFIPXVFZSA-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