General Information of the Compound
| Compound ID |
CP0550382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,9-dichloro-7-[4-[3-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]azetidin-1-yl]phenyl]-5,5-dimethylpyrido[2,3-d][1]benzazepin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
595.571
|
||||||||||||||||||
| Canonical SMILES |
COC1(CN(C)C2CCOCC2)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36Cl2N4O3/c1-31(2)29-27(15-22(34)17-35-29)26-10-5-21(33)16-28(26)38(30(31)39)25-8-6-24(7-9-25)37-19-32(20-37,40-4)18-36(3)23-11-13-41-14-12-23/h5-10,15-17,23H,11-14,18-20H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OFDMNBAZVNXYLN-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 | |||||||||||||||||||
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