General Information of the Compound
| Compound ID |
CP0542150
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-dimethylamino-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C28H44N4O4S2
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| Molecular Weight |
564.818
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| Canonical SMILES |
CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C28H44N4O4S2/c1-28(2,3)36-27(35)32-19-38-18-24(32)26(34)30-23(17-37-16-21-9-7-6-8-10-21)25(33)29-15-20-11-13-22(14-12-20)31(4)5/h11-14,21,23-24H,6-10,15-19H2,1-5H3,(H,29,33)(H,30,34)/t23-,24-/m0/s1
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| InChIKey |
PJHKQNDDKCWXEX-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