General Information of the Compound
| Compound ID |
CP0539201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methoxy-N-propan-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C21H19F3N6O2
|
||||||||||||||||||
| Molecular Weight |
444.417
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(nc(N(Cc3nc(no3)-c3cccnc3)C(C)C)c2c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F3N6O2/c1-12(2)30(11-17-27-18(29-32-17)13-5-4-8-25-10-13)19-15-9-14(31-3)6-7-16(15)26-20(28-19)21(22,23)24/h4-10,12H,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IBWVIJNKEWTBMH-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 | |||||||||||||||||||
| 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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1