General Information of the Compound
| Compound ID |
CP0458551
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9469631, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O4
|
||||||||||||||||||
| Molecular Weight |
395.459
|
||||||||||||||||||
| Canonical SMILES |
CC(=C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O4/c1-15(2)29-22(27)24-11-9-19(10-12-24)25(18-7-8-18)21(26)17-5-3-16(4-6-17)20-13-23-14-28-20/h3-6,13-14,18-19H,1,7-12H2,2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCVMZHICTSFMRG-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