General Information of the Compound
| Compound ID |
CP0474826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N4
|
||||||||||||||||||
| Molecular Weight |
444.582
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N4/c1-33-17-19-34(20-18-33)26-12-9-23(10-13-26)25-11-14-28-27(21-25)29-24(15-16-31-30(29)32-28)8-7-22-5-3-2-4-6-22/h2-16,21H,17-20H2,1H3,(H,31,32)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQZGMKZIRZEYSL-BQYQJAHWSA-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