General Information of the Compound
| Compound ID |
CP0374593
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| Compound Name |
(R)-4-[(R)-2-Cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C32H43N3O5S2
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| Molecular Weight |
613.846
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C32H43N3O5S2/c1-32(2,3)40-31(38)35-22-42-21-28(35)30(37)34-27(20-41-19-24-10-6-4-7-11-24)29(36)33-18-23-14-16-26(17-15-23)39-25-12-8-5-9-13-25/h5,8-9,12-17,24,27-28H,4,6-7,10-11,18-22H2,1-3H3,(H,33,36)(H,34,37)/t27-,28-/m0/s1
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| InChIKey |
CJMZPDURVPAUCH-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