General Information of the Compound
| Compound ID |
CP0006584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 221
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36N4O2
|
||||||||||||||||||
| Molecular Weight |
496.655
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)n1cnc2ccc(cc12)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N4O2/c1-33-14-12-27(13-15-33)35-22-32-30-10-9-25(18-31(30)35)24-7-4-8-29(17-24)37-21-28(36)20-34-16-11-23-5-2-3-6-26(23)19-34/h2-10,17-18,22,27-28,36H,11-16,19-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJDJHRZMQQXXFC-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