General Information of the Compound
| Compound ID |
CP0552792
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4065330
Show/Hide
|
||||||||||||||||||
| Formula |
C22H24N2O3
|
||||||||||||||||||
| Molecular Weight |
364.445
|
||||||||||||||||||
| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2ccc(=O)[nH]c2)CC[C@H](Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O3/c25-21-7-6-18(15-23-21)20-13-19(24-27-20)14-22(26)10-8-17(9-11-22)12-16-4-2-1-3-5-16/h1-7,13,15,17,26H,8-12,14H2,(H,23,25)/t17-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQZJLHKLVZQNTE-LMTLIKQPSA-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