General Information of the Compound
| Compound ID |
CP0898825
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-2-(3-Chlorophenyl)-6-((1-isopropylpiperidin-3-yl)methyl)-5-o-tolyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClN5O
|
||||||||||||||||||
| Molecular Weight |
476.024
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1-c1nc2cn(-c3cccc(Cl)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClN5O/c1-18(2)31-13-7-9-20(15-31)16-32-26(23-12-5-4-8-19(23)3)29-24-17-33(30-25(24)27(32)34)22-11-6-10-21(28)14-22/h4-6,8,10-12,14,17-18,20H,7,9,13,15-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCBXOJDQTLCYRI-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