General Information of the Compound
| Compound ID |
CP0281204
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-9-((cyclopropylmethyl)(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-2,3,4,8,9,10-hexahydro-1H-pyrano[2,3-h]isoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
447.554
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(CCCN(CC3CC3)C3COc4ccc5CCNC(=O)c5c4C3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30FN3O2/c28-20-6-7-24-22(12-20)19(14-30-24)2-1-11-31(15-17-3-4-17)21-13-23-25(33-16-21)8-5-18-9-10-29-27(32)26(18)23/h5-8,12,14,17,21,30H,1-4,9-11,13,15-16H2,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDZGEVLBLXIJKQ-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