General Information of the Compound
| Compound ID |
CP0551320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8822510, 92
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
477.992
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(\C=C\C3(CCCCC3)c3ccc(Cl)cc3)n2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClN3O3/c28-23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-29-25(30-34-24)20-6-4-19(5-7-20)16-31-17-21(18-31)26(32)33/h4-12,15,21H,1-3,13-14,16-18H2,(H,32,33)/b15-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQEPSFUSAONTEX-NTCAYCPXSA-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