General Information of the Compound
| Compound ID |
CP0409207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]piperazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28FN5O3
|
||||||||||||||||||
| Molecular Weight |
513.573
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCN3C(=O)Cc3cnc[nH]3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28FN5O3/c30-22-6-10-25(11-7-22)38-26-12-8-23(9-13-26)33-29(37)27-19-34(18-21-4-2-1-3-5-21)14-15-35(27)28(36)16-24-17-31-20-32-24/h1-13,17,20,27H,14-16,18-19H2,(H,31,32)(H,33,37)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLPVZJKUPNMUTE-MHZLTWQESA-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