General Information of the Compound
| Compound ID |
CP0905963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H32N4O
|
||||||||||||||||||
| Molecular Weight |
524.668
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(c2ccc(-c3ccc4[nH]c5nccc(-c6ccc(C(O)c7ccccc7)cc6)c5c4c3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H32N4O/c1-38-19-21-39(22-20-38)29-14-11-24(12-15-29)28-13-16-32-31(23-28)33-30(17-18-36-35(33)37-32)25-7-9-27(10-8-25)34(40)26-5-3-2-4-6-26/h2-18,23,34,40H,19-22H2,1H3,(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLGKUFLUAAWGDC-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