General Information of the Compound
| Compound ID |
CP0907508
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103163471
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16ClF4NO
|
||||||||||||||||||
| Molecular Weight |
433.832
|
||||||||||||||||||
| Canonical SMILES |
CC1(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16ClF4NO/c1-22(12-13-3-2-4-16(9-13)23(26,27)28)17-10-14(6-8-20(17)29-21(22)30)15-5-7-19(25)18(24)11-15/h2-11H,12H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWCFVJSVDSTDKD-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3