General Information of the Compound
| Compound ID |
CP0406681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3361182
Show/Hide
|
||||||||||||||||||
| Formula |
C23H24N4O2
|
||||||||||||||||||
| Molecular Weight |
388.471
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CC[C@H](CNc2nc(cc(n2)-c2ccncc2)-c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N4O2/c28-22(29)19-8-6-16(7-9-19)15-25-23-26-20(17-4-2-1-3-5-17)14-21(27-23)18-10-12-24-13-11-18/h1-5,10-14,16,19H,6-9,15H2,(H,28,29)(H,25,26,27)/t16-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWVSJNJIHSBPIO-RUCARUNLSA-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 | |||||||||||||||||||
| 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