General Information of the Compound
| Compound ID |
CP0441927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 12
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41N5O
|
||||||||||||||||||
| Molecular Weight |
463.67
|
||||||||||||||||||
| Canonical SMILES |
CN1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41N5O/c1-30-17-21-19-32(20-22(21)18-30)27-28(34)33(26-12-8-7-11-25(26)29-27)24-13-15-31(16-14-24)23-9-5-3-2-4-6-10-23/h7-8,11-12,21-24H,2-6,9-10,13-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKWXVOJGNRDAPL-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