General Information of the Compound
| Compound ID |
CP0425474
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-[3-[[4-(hexanoylamino)benzoyl]amino]phenyl]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O4
|
||||||||||||||||||
| Molecular Weight |
396.487
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(C[C@H](C)C(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O4/c1-3-4-5-9-21(26)24-19-12-10-18(11-13-19)22(27)25-20-8-6-7-17(15-20)14-16(2)23(28)29/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGBDJBQHHKZURZ-INIZCTEOSA-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