General Information of the Compound
| Compound ID |
CP0466132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9469631, 57
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O4
|
||||||||||||||||||
| Molecular Weight |
411.502
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1ccno1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O4/c1-23(2,3)29-22(28)25-14-11-19(12-15-25)26(18-8-9-18)21(27)17-6-4-16(5-7-17)20-10-13-24-30-20/h4-7,10,13,18-19H,8-9,11-12,14-15H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWWLXYYZSGXACH-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