General Information of the Compound
| Compound ID |
CP0570563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34F2N4O2
|
||||||||||||||||||
| Molecular Weight |
532.635
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4F)C3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34F2N4O2/c32-22-12-13-27-24(18-22)25(19-34-27)21-8-7-15-35(20-21)14-5-6-17-37-30(38)29(23-9-1-2-10-26(23)33)28-11-3-4-16-36(28)31(37)39/h1-2,9-10,12-13,18-19,21,34H,3-8,11,14-17,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTNOGXUTXBJBLW-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