General Information of the Compound
| Compound ID |
CP0377481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (1R,5R)-3-[[6-(4-cyano-2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26FN7O4
|
||||||||||||||||||
| Molecular Weight |
483.504
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)C#N)c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26FN7O4/c1-23(2,3)35-22(32)30-15-5-6-16(30)10-14(9-15)28-20-19(31(33)34)21(27-12-26-20)29-18-7-4-13(11-25)8-17(18)24/h4,7-8,12,14-16H,5-6,9-10H2,1-3H3,(H2,26,27,28,29)/t15-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHDPLXJUOAAQAR-HZPDHXFCSA-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