General Information of the Compound
| Compound ID |
CP0376080
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid allyl ester
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| Structure |
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| Formula |
C31H39N3O5S2
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| Molecular Weight |
597.803
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| Canonical SMILES |
C=CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C31H39N3O5S2/c1-2-17-38-31(37)34-22-41-21-28(34)30(36)33-27(20-40-19-24-9-5-3-6-10-24)29(35)32-18-23-13-15-26(16-14-23)39-25-11-7-4-8-12-25/h2,4,7-8,11-16,24,27-28H,1,3,5-6,9-10,17-22H2,(H,32,35)(H,33,36)/t27-,28-/m0/s1
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| InChIKey |
RFGNDCUXXPPEAD-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