General Information of the Compound
| Compound ID |
CP0518213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9079906, 101
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N5O5
|
||||||||||||||||||
| Molecular Weight |
471.558
|
||||||||||||||||||
| Canonical SMILES |
COCCCOc1cc(cc(c1)C(C)(C)C)C(=O)Cn1nc2c(C)cc(OCCO)nn2c1=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N5O5/c1-16-11-21(34-10-7-30)26-29-22(16)27-28(23(29)25)15-20(31)17-12-18(24(2,3)4)14-19(13-17)33-9-6-8-32-5/h11-14,25,30H,6-10,15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQCQTYRUCOQEAP-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