General Information of the Compound
| Compound ID |
CP0572429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618299,10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N3O2
|
||||||||||||||||||
| Molecular Weight |
453.586
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2C3CCCCCN3CCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N3O2/c1-30-27-18-22(32-17-13-23(19-28(32)33)34-20-21-8-4-2-5-9-21)11-12-24(27)25-14-16-31-15-7-3-6-10-26(31)29(25)30/h2,4-5,8-9,11-13,17-19,26H,3,6-7,10,14-16,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWWGLFMJCAGGQV-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