General Information of the Compound
| Compound ID |
CP0090032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N5
|
||||||||||||||||||
| Molecular Weight |
289.342
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N5/c18-9-12-4-3-5-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-6-1-2-7-22/h3-5,8,10-11H,1-2,6-7H2,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRCUUITXMHZHGJ-UHFFFAOYSA-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