General Information of the Compound
| Compound ID |
CP0425841
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C23H24ClFN6O
|
||||||||||||||||||
| Molecular Weight |
454.937
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24ClFN6O/c1-17-26-28-31(27-17)16-20-14-21(24)6-4-19(20)5-9-23(32)30-12-10-29(11-13-30)15-18-2-7-22(25)8-3-18/h2-9,14H,10-13,15-16H2,1H3/b9-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMNOETGIZBZDHS-WEVVVXLNSA-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 | |||||||||||||||||||
| 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