General Information of the Compound
| Compound ID |
CP0554136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8927539, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30N2O3
|
||||||||||||||||||
| Molecular Weight |
454.57
|
||||||||||||||||||
| Canonical SMILES |
CC(=C)CC1(CCN(C(=O)O1)C(C)(C)C#Cc1ccc2n(C)c(=O)ccc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30N2O3/c1-21(2)20-29(24-9-7-6-8-10-24)17-18-31(27(33)34-29)28(3,4)16-15-22-11-13-25-23(19-22)12-14-26(32)30(25)5/h6-14,19H,1,17-18,20H2,2-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDCBSFVLVTUBBD-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