General Information of the Compound
| Compound ID |
CP0245304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[4-[2-(1,3-benzothiazol-2-yl)-2-(benzotriazol-1-yl)-3-[4-[difluoro(phosphono)methyl]phenyl]propyl]phenyl]-difluoromethyl]phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H24F4N4O6P2S
|
||||||||||||||||||
| Molecular Weight |
706.551
|
||||||||||||||||||
| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24F4N4O6P2S/c31-29(32,45(39,40)41)21-13-9-19(10-14-21)17-28(27-35-24-6-2-4-8-26(24)47-27,38-25-7-3-1-5-23(25)36-37-38)18-20-11-15-22(16-12-20)30(33,34)46(42,43)44/h1-16H,17-18H2,(H2,39,40,41)(H2,42,43,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHQSTVDLTPVSRM-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