General Information of the Compound
| Compound ID |
CP0014868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]butanenitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C16H14N6
|
||||||||||||||||||
| Molecular Weight |
290.33
|
||||||||||||||||||
| Canonical SMILES |
N#CCCCn1cc(cn1)-n1ccc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N6/c17-5-1-2-7-21-11-13(10-20-21)22-8-4-12-9-19-16-14(15(12)22)3-6-18-16/h3-4,6,8-11H,1-2,7H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLSATRPSVBYFAY-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 | |||||||||||||||||||
| 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