Bioactive Compound Details

BioIDbio198385
NameNone
ChEMBL IDCHEMBL484963
Molecular FormulaC9H12FN3O4
Molecular Weight245.21
Molecular Weight (Monoisotopic)245.0812
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'Deoxy-2'-Fluoroarabinocytidine
SmilesNc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)n1
InchiInChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
Inchi KeyNVZFZMCNALTPBY-PXBUCIJWSA-N
Molecular SpeciesNEUTRAL
Targets9.0
Bioactivities16.0
Np Likeness Score1.18
Records Key['10', 'dFAraC', '1A', 2'-FdCyd", '27']"
Records Name['4-amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', 2'deoxy-2'-fluoroarabinocytidine", '4-Amino-1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-Amino-1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-Amino-1-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure