General Information of the Compound
| Compound ID |
CP0326477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-[2-[4-[3-(morpholin-4-ylmethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N7O2
|
||||||||||||||||||
| Molecular Weight |
499.619
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCOCC3)c2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N7O2/c36-28-25-4-8-29-27(26(25)30-20-31-28)35-19-22(17-32-35)5-9-33-10-6-23(7-11-33)24-3-1-2-21(16-24)18-34-12-14-37-15-13-34/h1-4,8,16-17,19-20,23H,5-7,9-15,18H2,(H,30,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKWOFYNSPFBQLX-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