General Information of the Compound
| Compound ID |
CP0852494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
DNDI1417809
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N2O
|
||||||||||||||||||
| Molecular Weight |
380.576
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1CC(CCNCc2ccc(N(C)C)cc2)(c2ccccc2)CCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N2O/c1-20(2)24-18-25(15-17-28-24,22-8-6-5-7-9-22)14-16-26-19-21-10-12-23(13-11-21)27(3)4/h5-13,20,24,26H,14-19H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFJHMTFOCRVPES-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