General Information of the Compound
| Compound ID |
CP0491575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9079906, 163
Show/Hide
|
||||||||||||||||||
| Formula |
C24H33N5O4
|
||||||||||||||||||
| Molecular Weight |
455.559
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nn2c(nn(CC(=O)c3cc(OCCO)cc(c3)C(C)(C)C)\c2=N/C)c(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N5O4/c1-8-32-22-16(3)15(2)21-26-28(23(25-7)29(21)27-22)14-20(31)17-11-18(24(4,5)6)13-19(12-17)33-10-9-30/h11-13,30H,8-10,14H2,1-7H3/b25-23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DRULFFIXZICIPM-WJTDDFOZSA-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