General Information of the Compound
| Compound ID |
CP0372025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1-(4-fluorobenzyl)-1H-tetrazol-5-yl)(2-fluorophenyl)methyl)-4-cyclohexylpiperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30F2N6
|
||||||||||||||||||
| Molecular Weight |
452.553
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Cn2nnnc2C(N2CCN(CC2)C2CCCCC2)c2ccccc2F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30F2N6/c26-20-12-10-19(11-13-20)18-33-25(28-29-30-33)24(22-8-4-5-9-23(22)27)32-16-14-31(15-17-32)21-6-2-1-3-7-21/h4-5,8-13,21,24H,1-3,6-7,14-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLTCVGABAUANGJ-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