General Information of the Compound
| Compound ID |
CP0860346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID26661590
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N4O
|
||||||||||||||||||
| Molecular Weight |
422.532
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N4O/c1-2-3-16-30-19-29-27-24(26(30)28)23(20-11-6-4-7-12-20)25(21-13-8-5-9-14-21)31(27)18-22-15-10-17-32-22/h4-15,17,19,28H,2-3,16,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIJCPNBNBVXNII-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