General Information of the Compound
| Compound ID |
CP0211305
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzotriazol-1-yl-3-[4-(difluoro-phosphono-methyl)-phenyl]-2-phenyl-propionic acid benzyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24F2N3O5P
|
||||||||||||||||||
| Molecular Weight |
563.497
|
||||||||||||||||||
| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)OCc2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24F2N3O5P/c30-29(31,40(36,37)38)24-17-15-21(16-18-24)19-28(23-11-5-2-6-12-23,27(35)39-20-22-9-3-1-4-10-22)34-26-14-8-7-13-25(26)32-33-34/h1-18H,19-20H2,(H2,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAWXEOBACQVHDL-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