General Information of the Compound
| Compound ID |
CP0386544
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-piperazin-1-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N6
|
||||||||||||||||||
| Molecular Weight |
282.351
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1c2CCCCn2c2c(ncnc12)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N6/c16-9-11-12-3-1-2-6-21(12)14-13(11)18-10-19-15(14)20-7-4-17-5-8-20/h10,17H,1-8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGNVOLQRAOMBKN-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
Protein ID: PT02516, Multidrug resistance-associated protein 1