General Information of the Compound
| Compound ID |
CP0549515
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[pentanoyl(propan-2-yl)amino]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C22H27NO3
|
||||||||||||||||||
| Molecular Weight |
353.462
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1C(O)=O)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27NO3/c1-4-5-10-21(24)23(16(2)3)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)22(25)26/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVWWCUUDABZYOO-UHFFFAOYSA-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 | |||||||||||||||||||
| 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