General Information of the Compound
| Compound ID |
CP0956773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 3.15
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24ClN3O4
|
||||||||||||||||||
| Molecular Weight |
453.926
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CC(O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24ClN3O4/c1-16-8-17(11-27-12-20(29)13-27)2-5-22(16)23(30)14-28-7-6-21(9-24(28)31)32-15-19-4-3-18(25)10-26-19/h2-10,20,29H,11-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCBGVMWUDIQENC-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