General Information of the Compound
| Compound ID |
CP0437742
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| Compound Name |
(R)-3-(2-Methoxy-ethyl)-thiazolidine-4-carboxylic acid [(R)-2-cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethyl]-amide
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| Structure |
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| Formula |
C30H41N3O4S2
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| Molecular Weight |
571.809
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| Canonical SMILES |
COCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C30H41N3O4S2/c1-36-17-16-33-22-39-21-28(33)30(35)32-27(20-38-19-24-8-4-2-5-9-24)29(34)31-18-23-12-14-26(15-13-23)37-25-10-6-3-7-11-25/h3,6-7,10-15,24,27-28H,2,4-5,8-9,16-22H2,1H3,(H,31,34)(H,32,35)/t27-,28-/m0/s1
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| InChIKey |
PDCQWQAHXCOHHY-NSOVKSMOSA-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