General Information of the Compound
| Compound ID |
CP0458078
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-(3-chloro-4-fluorophenyl)-4-N-[(1R)-1-cyclopropyl-3-methylbutyl]quinazoline-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClFN4
|
||||||||||||||||||
| Molecular Weight |
398.913
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H](Nc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClFN4/c1-13(2)11-20(14-7-8-14)26-21-16-5-3-4-6-19(16)27-22(28-21)25-15-9-10-18(24)17(23)12-15/h3-6,9-10,12-14,20H,7-8,11H2,1-2H3,(H2,25,26,27,28)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXBCAVCSCJUMRH-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