General Information of the Compound
| Compound ID |
CP0458579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9493412, 212
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26N2O3
|
||||||||||||||||||
| Molecular Weight |
354.45
|
||||||||||||||||||
| Canonical SMILES |
OC1=C(N2CCCCC2C1=O)C(=O)N[C@H]1CC[C@H](CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O3/c24-19-17-8-4-5-13-23(17)18(20(19)25)21(26)22-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,15-17,25H,4-5,8-13H2,(H,22,26)/t15-,16+,17?
Show/Hide
|
||||||||||||||||||
| InChIKey |
HEMKBHVSKBUNSA-SJPCQFCGSA-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 | |||||||||||||||||||
| 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