General Information of the Compound
| Compound ID |
CP0076053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[4-(cyclopentylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N6
|
||||||||||||||||||
| Molecular Weight |
376.508
|
||||||||||||||||||
| Canonical SMILES |
N#CCCN1CCC(CC1)n1c(CC2CCCC2)nc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N6/c23-9-3-11-27-12-7-17(8-13-27)28-20(14-16-4-1-2-5-16)26-19-15-25-22-18(21(19)28)6-10-24-22/h6,10,15-17H,1-5,7-8,11-14H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBZUEMPLVWIZSF-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