General Information of the Compound
| Compound ID |
CP0478822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212153, 94,Ex. 61
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N4O
|
||||||||||||||||||
| Molecular Weight |
372.472
|
||||||||||||||||||
| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCCCC1)-c1cccc(c1)[N+]#[C-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O/c1-25-19-8-6-7-16(13-19)17-9-10-18-15-22(11-4-3-5-12-22)23(20(18)14-17)26-21(24)27(2)28-23/h6-10,13-14H,3-5,11-12,15H2,2H3,(H2,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWGCBPARRLGDMK-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