General Information of the Compound
| Compound ID |
CP0528638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-chloro-2-[(4-methyltriazol-2-yl)methyl]phenyl]-1-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27ClFN5O
|
||||||||||||||||||
| Molecular Weight |
467.976
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1ncc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClFN5O/c1-18-14-28-32(29-18)17-22-13-23(26)7-5-21(22)6-10-25(33)31-12-11-30(15-19(31)2)16-20-3-8-24(27)9-4-20/h3-10,13-14,19H,11-12,15-17H2,1-2H3/b10-6+/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEEYVSHDTRPKQR-ZAOIQFLMSA-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