General Information of the Compound
| Compound ID |
CP0561034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-pyrimidin-5-ylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N2O5S
|
||||||||||||||||||
| Molecular Weight |
428.51
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1Cc1ccc(s1)-c1cncnc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O5S/c1-12-2-3-13(22-21(28)20(27)19(26)17(10-25)29-22)6-14(12)7-16-4-5-18(30-16)15-8-23-11-24-9-15/h2-6,8-9,11,17,19-22,25-28H,7,10H2,1H3/t17-,19-,20+,21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZBCIKYRFVTDMK-VOFPXKNKSA-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