General Information of the Compound
| Compound ID |
CP0521883
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| Compound Name |
(S)-2-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-methoxy-benzyloxycarbonyl)-ethylcarbamoyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C28H42N2O6S
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| Molecular Weight |
534.719
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C28H42N2O6S/c1-28(2,3)36-27(33)30-16-8-11-24(30)25(31)29-23(19-37-18-21-9-6-5-7-10-21)26(32)35-17-20-12-14-22(34-4)15-13-20/h12-15,21,23-24H,5-11,16-19H2,1-4H3,(H,29,31)/t23-,24-/m0/s1
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| InChIKey |
SDNYIXQEVDNMRR-ZEQRLZLVSA-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