General Information of the Compound
| Compound ID |
CP0867848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(2Z)-2-{1-[2-Chloro-4-(2-methylpyrrolidin-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 |
C30H30Cl2F2N4O2
|
||||||||||||||||||
| Molecular Weight |
587.498
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29ClF2N4O2.ClH/c1-20-7-6-15-36(20)22-11-12-24(26(31)17-22)29(39)37-16-13-30(32,33)25(23-9-2-3-10-27(23)37)18-28(38)35-19-21-8-4-5-14-34-21;/h2-5,8-12,14,17-18,20H,6-7,13,15-16,19H2,1H3,(H,35,38);1H/b25-18-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXBDZWDYVWYXDY-OYEQKBROSA-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