General Information of the Compound
| Compound ID |
CP0513696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopropyl-1-[4-methyl-6-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]quinazolin-2-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28F3N5O4
|
||||||||||||||||||
| Molecular Weight |
543.546
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)C(=O)NC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F3N5O4/c1-16-22-14-19(32-24(36)15-38-20-5-7-21(8-6-20)39-27(28,29)30)4-9-23(22)34-26(31-16)35-12-10-17(11-13-35)25(37)33-18-2-3-18/h4-9,14,17-18H,2-3,10-13,15H2,1H3,(H,32,36)(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XAQPGFPHOPGQIV-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