General Information of the Compound
| Compound ID |
CP0115846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H25N5
|
||||||||||||||||||
| Molecular Weight |
287.411
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(cc(n1)N1C[C@H]2CCCN[C@H]2C1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H25N5/c17-16-19-13(11-4-1-2-5-11)8-15(20-16)21-9-12-6-3-7-18-14(12)10-21/h8,11-12,14,18H,1-7,9-10H2,(H2,17,19,20)/t12-,14+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJGBPZUPXXTBBG-OCCSQVGLSA-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