General Information of the Compound
| Compound ID |
CP0511667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]pteridin-4-yl]amino]propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F2N5OS
|
||||||||||||||||||
| Molecular Weight |
363.393
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F2N5OS/c1-9(7-24)21-15-13-14(20-6-5-19-13)22-16(23-15)25-8-10-3-2-4-11(17)12(10)18/h2-6,9,24H,7-8H2,1H3,(H,20,21,22,23)/t9-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLYSGGFIJWABBI-SECBINFHSA-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