General Information of the Compound
| Compound ID |
CP0451335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9469631, 117
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O4
|
||||||||||||||||||
| Molecular Weight |
383.448
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O4/c1-2-27-21(26)23-11-9-18(10-12-23)24(17-7-8-17)20(25)16-5-3-15(4-6-16)19-13-22-14-28-19/h3-6,13-14,17-18H,2,7-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMJCMKGKDSYCEC-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