General Information of the Compound
| Compound ID |
CP0397972
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-[(R)-1-Cyclohexylmethylsulfanylmethyl-2-oxo-2-(4-phenylamino-piperidin-1-yl)-ethylcarbamoyl]-thiazolidine-3-carboxylic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H46N4O4S2
|
||||||||||||||||||
| Molecular Weight |
590.856
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(CC1)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H46N4O4S2/c1-30(2,3)38-29(37)34-21-40-20-26(34)27(35)32-25(19-39-18-22-10-6-4-7-11-22)28(36)33-16-14-24(15-17-33)31-23-12-8-5-9-13-23/h5,8-9,12-13,22,24-26,31H,4,6-7,10-11,14-21H2,1-3H3,(H,32,35)/t25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUNSEIIISGAVKT-UIOOFZCWSA-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