General Information of the Compound
| Compound ID |
CP0534923
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}-6-(trifluoromethyl)pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F4N6O2S
|
||||||||||||||||||
| Molecular Weight |
470.452
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cc(ncn2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F4N6O2S/c1-28-9-18(26-11-28)32(30,31)29-7-14(12-2-4-13(20)5-3-12)15(8-29)27-17-6-16(19(21,22)23)24-10-25-17/h2-6,9-11,14-15H,7-8H2,1H3,(H,24,25,27)/t14-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFMKWVVOCUKZNP-CABCVRRESA-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