General Information of the Compound
| Compound ID |
CP0401085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+)-3-{Cyclobutyl[3-(5-fluoro-1H-indol-3-yl)propyl]amino}chromane-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28FN3O2
|
||||||||||||||||||
| Molecular Weight |
421.516
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2OCC(Cc12)N(CCCc1c[nH]c2ccc(F)cc12)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28FN3O2/c26-17-9-10-23-21(12-17)16(14-28-23)4-3-11-29(18-5-1-6-18)19-13-22-20(25(27)30)7-2-8-24(22)31-15-19/h2,7-10,12,14,18-19,28H,1,3-6,11,13,15H2,(H2,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGWLBFFDIVAFSR-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