General Information of the Compound
| Compound ID |
CP0443104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8933079, 1.6
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O4
|
||||||||||||||||||
| Molecular Weight |
461.562
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCN(CO)CC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O4/c1-21-15-23(17-28-11-13-29(20-31)14-12-28)7-8-25(21)26(32)18-30-10-9-24(16-27(30)33)34-19-22-5-3-2-4-6-22/h2-10,15-16,31H,11-14,17-20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDXCGJNAEJADMD-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