General Information of the Compound
| Compound ID |
CP0657039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((1H-Imidazol-1-yl)methyl)-N-((2S,3S)-3-methyl-1-oxo-1-(phenylsulfonamido)pentan-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N4O4S
|
||||||||||||||||||
| Molecular Weight |
454.552
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)NS(=O)(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N4O4S/c1-3-17(2)21(23(29)26-32(30,31)20-10-5-4-6-11-20)25-22(28)19-9-7-8-18(14-19)15-27-13-12-24-16-27/h4-14,16-17,21H,3,15H2,1-2H3,(H,25,28)(H,26,29)/t17-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSHOCTINXFMACF-UWJYYQICSA-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