General Information of the Compound
| Compound ID |
CP0437746
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid methyl ester
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| Structure |
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| Formula |
C29H37N3O5S2
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| Molecular Weight |
571.765
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| Canonical SMILES |
COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C29H37N3O5S2/c1-36-29(35)32-20-39-19-26(32)28(34)31-25(18-38-17-22-8-4-2-5-9-22)27(33)30-16-21-12-14-24(15-13-21)37-23-10-6-3-7-11-23/h3,6-7,10-15,22,25-26H,2,4-5,8-9,16-20H2,1H3,(H,30,33)(H,31,34)/t25-,26-/m0/s1
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| InChIKey |
MSVUKWDNJDHRDD-UIOOFZCWSA-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