General Information of the Compound
| Compound ID |
CP0469857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N6O
|
||||||||||||||||||
| Molecular Weight |
356.389
|
||||||||||||||||||
| Canonical SMILES |
C=CC(=O)Nc1cccc(c1)-c1nc(Nc2cc[nH]n2)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N6O/c1-2-18(27)22-14-7-5-6-13(12-14)19-23-16-9-4-3-8-15(16)20(25-19)24-17-10-11-21-26-17/h2-12H,1H2,(H,22,27)(H2,21,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKMKOWWGHUKUTE-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