General Information of the Compound
| Compound ID |
CP0506986
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{[(3,5-Bis-trifluoromethyl-benzyl)-methyl-amino]-methyl}-2-methyl-4-phenyl-2H-isoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22F6N2O
|
||||||||||||||||||
| Molecular Weight |
504.474
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1c(-c2ccccc2)c2ccccc2c(=O)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22F6N2O/c1-34(15-17-12-19(26(28,29)30)14-20(13-17)27(31,32)33)16-23-24(18-8-4-3-5-9-18)21-10-6-7-11-22(21)25(36)35(23)2/h3-14H,15-16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOACPIKKSGPKPW-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 | |||||||||||||||||||
| 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