General Information of the Compound
| Compound ID |
CP0408855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-(4-methoxyphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N4O3
|
||||||||||||||||||
| Molecular Weight |
458.562
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\C(=O)Nc2ccc3nc(nc(C)c3c2)N2CCC(O)(CC2)C2CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N4O3/c1-18-23-17-21(29-25(32)12-5-19-3-9-22(34-2)10-4-19)8-11-24(23)30-26(28-18)31-15-13-27(33,14-16-31)20-6-7-20/h3-5,8-12,17,20,33H,6-7,13-16H2,1-2H3,(H,29,32)/b12-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
COMGLFFLDJGYGI-LFYBBSHMSA-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