General Information of the Compound
| Compound ID |
CP0549025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(1R)-1-[(3,5-difluoro-4-trimethylsilylphenyl)carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-6-oxohexanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32F2N2O5Si
|
||||||||||||||||||
| Molecular Weight |
518.633
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[C@@H](N(CCc2c1)C(=O)CCCCC(O)=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32F2N2O5Si/c1-35-18-9-10-19-16(13-18)11-12-30(22(31)7-5-6-8-23(32)33)24(19)26(34)29-17-14-20(27)25(21(28)15-17)36(2,3)4/h9-10,13-15,24H,5-8,11-12H2,1-4H3,(H,29,34)(H,32,33)/t24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHEHOIAFZLHAJN-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