General Information of the Compound
| Compound ID |
CP0442015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993586, 70
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N4O3
|
||||||||||||||||||
| Molecular Weight |
446.551
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N4O3/c1-25(2,3)30-16-19-15-26(27-23(31)22(19)28-30)10-12-29(13-11-26)24(32)18-9-8-17-6-5-7-21(33-4)20(17)14-18/h5-9,14,16H,10-13,15H2,1-4H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMKLSHNBOHVWGI-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