General Information of the Compound
| Compound ID |
CP0073641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-methoxy-3-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,4-benzodiazepin-5-yl]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21F3N2O4
|
||||||||||||||||||
| Molecular Weight |
482.458
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(O)=O)cc1C1=NCC(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F3N2O4/c1-35-22-11-8-17(13-24(33)34)12-20(22)25-19-4-2-3-5-21(19)31(23(32)14-30-25)15-16-6-9-18(10-7-16)26(27,28)29/h2-12H,13-15H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZQJQWGWGPOIFR-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