General Information of the Compound
| Compound ID |
CP0393706
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3-fluoroanilino)pyrimidin-5-yl]-(1-methylsulfonylpiperidin-4-yl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21FN4O3S
|
||||||||||||||||||
| Molecular Weight |
380.445
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(O)c1cncnc1Nc1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21FN4O3S/c1-26(24,25)22-7-5-12(6-8-22)16(23)15-10-19-11-20-17(15)21-14-4-2-3-13(18)9-14/h2-4,9-12,16,23H,5-8H2,1H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGJIZBYDINSKQU-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Protein ID: PT06518, Cytochrome P450 11B2, mitochondrial