General Information of the Compound
| Compound ID |
CP0013920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 81
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O2
|
||||||||||||||||||
| Molecular Weight |
441.575
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O2/c1-20(2)31-19-29-27-11-10-23(15-28(27)31)22-8-5-9-26(14-22)33-18-25(32)17-30-13-12-21-6-3-4-7-24(21)16-30/h3-11,14-15,19-20,25,32H,12-13,16-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUJDDZBACGRVLA-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