General Information of the Compound
| Compound ID |
CP0503756
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 54
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H36N4O3
|
||||||||||||||||||
| Molecular Weight |
428.577
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H](O)CNc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N4O3/c29-17-20(30)16-25-23-24(31)28(22-11-7-6-10-21(22)26-23)19-12-14-27(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,29-30H,1-5,8-9,12-17H2,(H,25,26)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGHWXCOOJVZLNV-HXUWFJFHSA-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