General Information of the Compound
| Compound ID |
CP0471884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4277104
Show/Hide
|
||||||||||||||||||
| Formula |
C23H31N3O2
|
||||||||||||||||||
| Molecular Weight |
381.52
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)NC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-10,15-17H,11-14H2,1-4H3,(H2,25,26,27)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKRDDHHMDANXMF-QAQDUYKDSA-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