General Information of the Compound
| Compound ID |
CP0018223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15F3N6O
|
||||||||||||||||||
| Molecular Weight |
388.353
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15F3N6O/c1-27-15-12(14(26-27)16(22)28)6-5-9-8-23-17(25-13(9)15)24-11-4-2-3-10(7-11)18(19,20)21/h2-4,7-8H,5-6H2,1H3,(H2,22,28)(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHUQZOZSCWOMOS-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