General Information of the Compound
| Compound ID |
CP0445480
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-[(R)-1-(4-Benzyloxy-benzylcarbamoyl)-2-cyclohexylmethylsulfanyl-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45N3O5S2
|
||||||||||||||||||
| Molecular Weight |
627.873
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(OCc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N3O5S2/c1-33(2,3)41-32(39)36-23-43-22-29(36)31(38)35-28(21-42-20-26-12-8-5-9-13-26)30(37)34-18-24-14-16-27(17-15-24)40-19-25-10-6-4-7-11-25/h4,6-7,10-11,14-17,26,28-29H,5,8-9,12-13,18-23H2,1-3H3,(H,34,37)(H,35,38)/t28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCXOGMOLOJSNEC-VMPREFPWSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound