General Information of the Compound
| Compound ID |
CP0508442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (1R,5R)-3-[[6-(2-chlorophenoxy)-5-nitropyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26ClN5O5
|
||||||||||||||||||
| Molecular Weight |
475.933
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Oc2ccccc2Cl)c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26ClN5O5/c1-22(2,3)33-21(29)27-14-8-9-15(27)11-13(10-14)26-19-18(28(30)31)20(25-12-24-19)32-17-7-5-4-6-16(17)23/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,26)/t14-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDTMMCLHSDRYAL-HUUCEWRRSA-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