General Information of the Compound
| Compound ID |
CP0471863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-methylcyclopropyl) (1S,5S)-3-[6-(2-chloro-4-cyanoanilino)-5-fluoropyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClFN5O3
|
||||||||||||||||||
| Molecular Weight |
471.92
|
||||||||||||||||||
| Canonical SMILES |
CC1(CC1)OC(=O)N1[C@H]2CC[C@H]1CC(C2)Oc1ncnc(Nc2ccc(cc2Cl)C#N)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClFN5O3/c1-23(6-7-23)33-22(31)30-14-3-4-15(30)10-16(9-14)32-21-19(25)20(27-12-28-21)29-18-5-2-13(11-26)8-17(18)24/h2,5,8,12,14-16H,3-4,6-7,9-10H2,1H3,(H,27,28,29)/t14-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQTFLSWEOMKTJH-GJZGRUSLSA-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