General Information of the Compound
| Compound ID |
CP0491459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221790, 9
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25ClN4O2
|
||||||||||||||||||
| Molecular Weight |
388.899
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIOGWWRSBGQSBU-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