General Information of the Compound
| Compound ID |
CP0912770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID26726452
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClFN3O
|
||||||||||||||||||
| Molecular Weight |
385.87
|
||||||||||||||||||
| Canonical SMILES |
OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClFN3O/c22-18-5-3-17(4-6-18)21(27)9-11-26(12-10-21)14-16-13-24-25-20(16)15-1-7-19(23)8-2-15/h1-8,13,27H,9-12,14H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MISJSONIEDURRL-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