Bioactive Compound Details

BioIDbio199937
NameNone
ChEMBL IDCHEMBL1651363
Molecular FormulaC10H11ClN4O4
Molecular Weight286.68
Molecular Weight (Monoisotopic)286.0469
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Cl-nebularine
SmilesOC[C@H]1O[C@@H](n2cnc3cnc(Cl)nc32)[C@H](O)[C@@H]1O
InchiInChI=1S/C10H11ClN4O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2/t5-,6-,7-,9-/m1/s1
Inchi KeyDXGGYSNDZSUEHC-JXOAFFINSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score0.85
Records Key['11, 2-Cl-nebularine']
Records Name['(2R,3R,4S,5R)-2-(2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure