Bioactive Compound Details

BioIDbio197574
NameNone
ChEMBL IDCHEMBL399944
Molecular FormulaC12H19N6O5P
Molecular Weight358.3
Molecular Weight (Monoisotopic)358.1155
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-Deoxyadenosine Phosphonate
SmilesCC(N)P(=O)(O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InchiInChI=1S/C12H19N6O5P/c1-6(13)24(20,21)23-7-2-9(22-8(7)3-19)18-5-17-10-11(14)15-4-16-12(10)18/h4-9,19H,2-3,13H2,1H3,(H,20,21)(H2,14,15,16)/t6?,7-,8+,9+/m0/s1
Inchi KeyDLFUVYAVBGKMGR-GSLILNRNSA-N
Molecular SpeciesZWITTERION
Targets7.0
Bioactivities16.0
Np Likeness Score0.78
Records Key['3', '14']
Records Name[2'-deoxyadenosine phosphonate", "3'-(1-Aminoethylphosphonyl)2'-deoxyadenosine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure