General Information of the Compound
| Compound ID |
CP0915847
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(2Z)-2-(1-{2-Chloro-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoyl}-4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)-N-(pyridin-2-ylmethyl)acetamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33Cl2F2N5O2
|
||||||||||||||||||
| Molecular Weight |
616.54
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32ClF2N5O2.ClH/c1-37(2)23-12-15-38(20-23)22-10-11-25(27(32)17-22)30(41)39-16-13-31(33,34)26(24-8-3-4-9-28(24)39)18-29(40)36-19-21-7-5-6-14-35-21;/h3-11,14,17-18,23H,12-13,15-16,19-20H2,1-2H3,(H,36,40);1H/b26-18-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDZFFLGFSHTIHN-ZVOSEVRTSA-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