General Information of the Compound
| Compound ID |
CP0554148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 94
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O2
|
||||||||||||||||||
| Molecular Weight |
363.461
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O2/c1-25-20-9-5-8-19(18(20)12-13-21(25)26)24-22(27)23-17-11-10-16(14-17)15-6-3-2-4-7-15/h2-9,16-17H,10-14H2,1H3,(H2,23,24,27)/t16-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LROUIROOTPZFRQ-DLBZAZTESA-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