General Information of the Compound
| Compound ID |
CP0352349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-yl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N8O2
|
||||||||||||||||||
| Molecular Weight |
444.499
|
||||||||||||||||||
| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NC(=O)C3CCNCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N8O2/c1-30-11-12-33-20-18(30)13-25-31-21(28-29-22(20)31)17-6-5-14-3-2-4-16(19(14)26-17)27-23(32)15-7-9-24-10-8-15/h2-6,13,15,24H,7-12H2,1H3,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XUBFCYANDUSCNL-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