General Information of the Compound
| Compound ID |
CP0339817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL411082
Show/Hide
|
||||||||||||||||||
| Formula |
C28H26N6
|
||||||||||||||||||
| Molecular Weight |
446.558
|
||||||||||||||||||
| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N6/c29-27-26-25(32-28(34(26)14-11-30-27)21-15-22(16-21)33-12-4-13-33)20-8-7-19-9-10-23(31-24(19)17-20)18-5-2-1-3-6-18/h1-3,5-11,14,17,21-22H,4,12-13,15-16H2,(H2,29,30)/t21-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVATYHJETCAAEJ-SZPZYZBQSA-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 | |||||||||||||||||||
| 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