General Information of the Compound
| Compound ID |
CP0386796
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]piperidine-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25F2N5O3S2
|
||||||||||||||||||
| Molecular Weight |
473.571
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCCC2)nc(SCc2cccc(F)c2F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25F2N5O3S2/c1-13(11-27)22-16-10-17(25-31(28,29)26-8-3-2-4-9-26)24-19(23-16)30-12-14-6-5-7-15(20)18(14)21/h5-7,10,13,27H,2-4,8-9,11-12H2,1H3,(H2,22,23,24,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYCHLELHVSMDDI-CYBMUJFWSA-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