General Information of the Compound
| Compound ID |
CP0857301
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-5-(6-(1-(4-fluorophenyl)ethylcarbamoyl)-1-oxo-1,2-dihydroisoquinolin-3-yl)pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23FN2O4
|
||||||||||||||||||
| Molecular Weight |
410.445
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(CCCCC(=O)O)cc2c1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23FN2O4/c1-14(15-6-9-18(24)10-7-15)25-22(29)16-8-11-20-17(12-16)13-19(26-23(20)30)4-2-3-5-21(27)28/h6-14H,2-5H2,1H3,(H,25,29)(H,26,30)(H,27,28)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMCQWHSTXMUFRA-CQSZACIVSA-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