General Information of the Compound
| Compound ID |
CP0267643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[4-[2-(benzotriazol-1-yl)-2-phenyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]phenyl]-difluoromethyl]phosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H26F2N7O3P
|
||||||||||||||||||
| Molecular Weight |
649.598
|
||||||||||||||||||
| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(cc1)C(C(c1ccccc1)n1nnc2ccccc12)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H26F2N7O3P/c35-34(36,47(44,45)46)26-20-18-24(19-21-26)31(32(25-8-2-1-3-9-25)43-30-13-7-6-12-29(30)37-42-43)23-16-14-22(15-17-23)27-10-4-5-11-28(27)33-38-40-41-39-33/h1-21,31-32H,(H2,44,45,46)(H,38,39,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJMPYOYPEFGAPW-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