General Information of the Compound
| Compound ID |
CP0464469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O3
|
||||||||||||||||||
| Molecular Weight |
368.437
|
||||||||||||||||||
| Canonical SMILES |
CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)n1C)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O3/c1-14-11-15-5-3-4-6-16(15)24(14)20(26)12-17-21-18(13-19(25)22(17)2)23-7-9-27-10-8-23/h3-6,13-14H,7-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXSRWWPWLYCSPX-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