General Information of the Compound
| Compound ID |
CP0454668
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[4-[(3-chlorophenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25ClN4O4
|
||||||||||||||||||
| Molecular Weight |
468.941
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClN4O4/c1-24(2,3)33-23(32)18(12-15-8-5-4-6-9-15)29-22(31)20-19(26-14-27-20)21(30)28-17-11-7-10-16(25)13-17/h4-11,13-14,18H,12H2,1-3H3,(H,26,27)(H,28,30)(H,29,31)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRKNUVBODBHDOK-SFHVURJKSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3