General Information of the Compound
| Compound ID |
CP0379475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-3-propyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O4
|
||||||||||||||||||
| Molecular Weight |
384.436
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nn(C)c2c1nc(\C=C\c1cc(OC)c(OC)c(OC)c1)[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O4/c1-6-7-13-17-18(24(2)23-13)20(25)22-16(21-17)9-8-12-10-14(26-3)19(28-5)15(11-12)27-4/h8-11H,6-7H2,1-5H3,(H,21,22,25)/b9-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPKJBMJBLINWTG-CMDGGOBGSA-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