General Information of the Compound
| Compound ID |
CP0461244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-(4-cyclopropyl-4-hydroxypiperidin-1-yl)-4-methylquinazolin-6-yl]-3-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N5O2
|
||||||||||||||||||
| Molecular Weight |
497.643
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(cc3)N3CCCC3)cc12)N1CCC(O)(CC1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N5O2/c1-21-26-20-24(32-28(36)13-6-22-4-10-25(11-5-22)34-16-2-3-17-34)9-12-27(26)33-29(31-21)35-18-14-30(37,15-19-35)23-7-8-23/h4-6,9-13,20,23,37H,2-3,7-8,14-19H2,1H3,(H,32,36)/b13-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZVYIBGQFYUUJB-AWNIVKPZSA-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