General Information of the Compound
| Compound ID |
CP0450217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8927539, 7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N2O4
|
||||||||||||||||||
| Molecular Weight |
472.585
|
||||||||||||||||||
| Canonical SMILES |
Cn1ccc(cc1=O)-c1ccc(cc1)C1(CC1)N1CCC(CC(C)(C)O)(OC1=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N2O4/c1-27(2,34)20-29(24-7-5-4-6-8-24)16-18-31(26(33)35-29)28(14-15-28)23-11-9-21(10-12-23)22-13-17-30(3)25(32)19-22/h4-13,17,19,34H,14-16,18,20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFTUQILKPMQCDB-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