General Information of the Compound
| Compound ID |
CP0396783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-({2-cyclopropyl-4-[4-(2- methoxy-phenyl)-piperidin-1- yl]-5-methyl-quinazolin-6- yl}-methyl-amino)-ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N4O2
|
||||||||||||||||||
| Molecular Weight |
446.595
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(N(C)CCO)c(C)c12)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O2/c1-18-23(30(2)16-17-32)11-10-22-25(18)27(29-26(28-22)20-8-9-20)31-14-12-19(13-15-31)21-6-4-5-7-24(21)33-3/h4-7,10-11,19-20,32H,8-9,12-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXLVNYAHZKHCDJ-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