General Information of the Compound
| Compound ID |
CP0523891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-Thiazolidine-4-carboxylic acid [(R)-2-cyclohexylmethylsulfanyl-1-(4-phenoxy-benzylcarbamoyl)-ethyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35N3O3S2
|
||||||||||||||||||
| Molecular Weight |
513.729
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35N3O3S2/c31-26(28-15-20-11-13-23(14-12-20)33-22-9-5-2-6-10-22)25(30-27(32)24-17-35-19-29-24)18-34-16-21-7-3-1-4-8-21/h2,5-6,9-14,21,24-25,29H,1,3-4,7-8,15-19H2,(H,28,31)(H,30,32)/t24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDJJQUQBFLGQCK-DQEYMECFSA-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