General Information of the Compound
| Compound ID |
CP0412306
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27FN4O
|
||||||||||||||||||
| Molecular Weight |
478.571
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2Nc3ccc(cc3C(=O)N(Cc3ccccc3)c2c1)-c1ccc(cc1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27FN4O/c31-24-9-13-28-29(19-24)35(20-21-4-2-1-3-5-21)30(36)26-18-23(8-12-27(26)33-28)22-6-10-25(11-7-22)34-16-14-32-15-17-34/h1-13,18-19,32-33H,14-17,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUMWLAFRSNCXDX-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
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay