General Information of the Compound
| Compound ID |
CP0451459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27N5
|
||||||||||||||||||
| Molecular Weight |
445.57
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(cn1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27N5/c1-33-15-17-34(18-16-33)27-12-10-24(20-31-27)23-9-11-26-25(19-23)28-22(13-14-30-29(28)32-26)8-7-21-5-3-2-4-6-21/h2-14,19-20H,15-18H2,1H3,(H,30,32)/b8-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKRPACLXIUKWJB-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