General Information of the Compound
| Compound ID |
CP0567303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F2N5O2
|
||||||||||||||||||
| Molecular Weight |
449.461
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccc(F)c12)-c1c[nH]c2ncc(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F2N5O2/c25-13-8-14-15(10-28-21(14)27-9-13)22-29-17-3-1-2-16(26)19(17)23(31-22)30-20-12-6-4-11(5-7-12)18(20)24(32)33/h1-3,8-12,18,20H,4-7H2,(H,27,28)(H,32,33)(H,29,30,31)/t11?,12?,18-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAFKYKOWNNXMFC-USZLEHOFSA-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