General Information of the Compound
| Compound ID |
CP0429356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-benzylsulfanyl-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-4-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N4O3S2
|
||||||||||||||||||
| Molecular Weight |
368.484
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N4O3S2/c1-11(9-20)16-13-8-14(19-24(2,21)22)18-15(17-13)23-10-12-6-4-3-5-7-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,18,19)/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJNNPHKJFAGINS-LLVKDONJSA-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