General Information of the Compound
| Compound ID |
CP0761780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Chlorophenyl)-6-{[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl}-5-(2-methylphenyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClN5O2
|
||||||||||||||||||
| Molecular Weight |
492.023
|
||||||||||||||||||
| Canonical SMILES |
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cn(-c4ccc(Cl)cc4)nc3c2=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClN5O2/c1-19-6-3-4-8-23(19)26-29-24-18-33(22-11-9-21(28)10-12-22)30-25(24)27(34)32(26)17-20-7-5-13-31(16-20)14-15-35-2/h3-4,6,8-12,18,20H,5,7,13-17H2,1-2H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBRXHISRKBRKBK-HXUWFJFHSA-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