General Information of the Compound
| Compound ID |
CP0415116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[[(1S)-2-hydroxy-1-phenylethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22N2O4
|
||||||||||||||||||
| Molecular Weight |
426.472
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22N2O4/c29-17-24(19-8-2-1-3-9-19)28(16-18-7-6-11-21(13-18)26(31)32)25(30)22-14-20-10-4-5-12-23(20)27-15-22/h1-15,24,29H,16-17H2,(H,31,32)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNVVWEOKVKEYLG-XMMPIXPASA-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