General Information of the Compound
| Compound ID |
CP0560883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340500, I-003
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N5O2
|
||||||||||||||||||
| Molecular Weight |
405.502
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N5O2/c1-18-20(23(29)26-22-17-24-8-9-25-22)16-21(19-6-3-2-4-7-19)28(18)11-5-10-27-12-14-30-15-13-27/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIYTVKXBSFDDAM-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