General Information of the Compound
| Compound ID |
CP0404327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((5'-chloro-3,3'-difluoro-2'-(2-methyl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1-hydroxy-1-isopropylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClF2N7O2
|
||||||||||||||||||
| Molecular Weight |
437.838
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(O)C(=O)NCc1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClF2N7O2/c1-9(2)28(30)18(29)23-8-15-13(20)4-10(7-22-15)12-5-11(19)6-14(21)16(12)17-24-26-27(3)25-17/h4-7,9,30H,8H2,1-3H3,(H,23,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDKYDKRLCGLXOB-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