General Information of the Compound
| Compound ID |
CP0410502
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-[4-(2H-tetrazol-5-yl)butyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30F6N6O
|
||||||||||||||||||
| Molecular Weight |
556.555
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCN(CCCCc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F6N6O/c27-25(28,29)21-14-19(15-22(16-21)26(30,31)32)17-39-18-23(20-6-2-1-3-7-20)38-12-10-37(11-13-38)9-5-4-8-24-33-35-36-34-24/h1-3,6-7,14-16,23H,4-5,8-13,17-18H2,(H,33,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLROGTSVMJUONC-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