General Information of the Compound
| Compound ID |
CP0423316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212153, 45
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25N3O
|
||||||||||||||||||
| Molecular Weight |
419.528
|
||||||||||||||||||
| Canonical SMILES |
CN1OC2(C=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25N3O/c1-31-26(30)17-28(32-31)25-14-22(21-8-4-5-19(13-21)18-29)9-10-24(25)16-27(28)12-11-20-6-2-3-7-23(20)15-27/h2-10,13-14,17H,11-12,15-16,30H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BISBSZKTJSDXHH-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