General Information of the Compound
| Compound ID |
CP0501190
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| Compound Name |
(R)-3-(2-Methoxy-acetyl)-thiazolidine-4-carboxylic acid [(R)-2-cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethyl]-amide
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| Structure |
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| Formula |
C30H39N3O5S2
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| Molecular Weight |
585.792
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| Canonical SMILES |
COCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C30H39N3O5S2/c1-37-17-28(34)33-21-40-20-27(33)30(36)32-26(19-39-18-23-8-4-2-5-9-23)29(35)31-16-22-12-14-25(15-13-22)38-24-10-6-3-7-11-24/h3,6-7,10-15,23,26-27H,2,4-5,8-9,16-21H2,1H3,(H,31,35)(H,32,36)/t26-,27-/m0/s1
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| InChIKey |
RZQOZDQCODMKDK-SVBPBHIXSA-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