Bioactive Compound Details

BioIDbio200205
NameNone
ChEMBL IDCHEMBL467295
Molecular FormulaC14H22N7O6P
Molecular Weight415.35
Molecular Weight (Monoisotopic)415.1369
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms5'-(Methylcarbamoyl)2'-Deoxyadenosine
SmilesCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)C(C)N
InchiInChI=1S/C14H22N7O6P/c1-7(15)28(23,24)27-8-3-10(26-9(8)4-25-14(22)17-2)21-6-20-11-12(16)18-5-19-13(11)21/h5-10H,3-4,15H2,1-2H3,(H,17,22)(H,23,24)(H2,16,18,19)/t7?,8-,9+,10+/m0/s1
Inchi KeyYUAAPHBTXAZQSD-HCZOVWHVSA-N
Molecular SpeciesZWITTERION
Targets1.0
Bioactivities1.0
Np Likeness Score0.56
Records Key['17']
Records Name[5'-(Methylcarbamoyl)2'-deoxyadenosine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure