General Information of the Compound
| Compound ID |
CP0479182
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(6-methylpyridin-3-yl)amino]-6-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6O2
|
||||||||||||||||||
| Molecular Weight |
378.436
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Nc2nc(ccc2C(N)=O)N2C[C@H]3C[C@@H]2CN3C(=O)C=C)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O2/c1-3-18(27)26-11-14-8-15(26)10-25(14)17-7-6-16(19(21)28)20(24-17)23-13-5-4-12(2)22-9-13/h3-7,9,14-15H,1,8,10-11H2,2H3,(H2,21,28)(H,23,24)/t14-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVYSFZGROFHAOB-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