General Information of the Compound
| Compound ID |
CP0409260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9388162, 49
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33NO4
|
||||||||||||||||||
| Molecular Weight |
399.531
|
||||||||||||||||||
| Canonical SMILES |
COCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(OC)cc4[C@@]2(CCN3CC2CC2)CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33NO4/c1-28-10-7-18-13-24(27)22-11-17-5-6-19(29-2)12-20(17)23(24,14-21(18)26)8-9-25(22)15-16-3-4-16/h5-6,12,16,18,22,27H,3-4,7-11,13-15H2,1-2H3/t18-,22+,23+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUUYZABVNGBRSH-LWZKNFMGSA-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