General Information of the Compound
| Compound ID |
CP0418842
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-methoxy-benzyloxycarbonyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C27H40N2O6S2
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| Molecular Weight |
552.759
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| Canonical SMILES |
COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C27H40N2O6S2/c1-27(2,3)35-26(32)29-18-37-17-23(29)24(30)28-22(16-36-15-20-8-6-5-7-9-20)25(31)34-14-19-10-12-21(33-4)13-11-19/h10-13,20,22-23H,5-9,14-18H2,1-4H3,(H,28,30)/t22-,23-/m0/s1
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| InChIKey |
APEZAVRXLYETFX-GOTSBHOMSA-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