General Information of the Compound
| Compound ID |
CP0946447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(bis(2-fluorophenyl)(hydroxy)methyl)-N-(1-ethyl-1H-pyrazol-3-yl)-1-(2-hydroxyethyl)-1H-benzo[d]imidazole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25F2N5O3
|
||||||||||||||||||
| Molecular Weight |
517.536
|
||||||||||||||||||
| Canonical SMILES |
CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(CCO)c3c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25F2N5O3/c1-2-34-14-13-25(33-34)32-26(37)18-11-12-23-24(17-18)35(15-16-36)27(31-23)28(38,19-7-3-5-9-21(19)29)20-8-4-6-10-22(20)30/h3-14,17,36,38H,2,15-16H2,1H3,(H,32,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTZSTLQUGAPNOW-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