General Information of the Compound
| Compound ID |
CP0236800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-[2-[4-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N7O2
|
||||||||||||||||||
| Molecular Weight |
483.576
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCCN1c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N7O2/c35-24-2-1-12-33(24)22-5-3-20(4-6-22)21-9-14-32(15-10-21)13-8-19-16-31-34(17-19)26-25-23(7-11-28-26)27(36)30-18-29-25/h3-7,11,16-18,21H,1-2,8-10,12-15H2,(H,29,30,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTYMAMBJVVRSCZ-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