Bioactive Compound Details

BioIDbio198502
NameNone
ChEMBL IDCHEMBL611304
Molecular FormulaC15H23N9O12P2
Molecular Weight583.35
Molecular Weight (Monoisotopic)583.0941
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Azido-Adenosine Diphosphate (Hydroxymethyl)Pyrrolidine Dialcohol
Smiles[N-]=[N+]=Nc1nc(N)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]4NC[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1
InchiInChI=1S/C15H23N9O12P2/c16-12-8-13(21-15(20-12)22-23-17)24(4-19-8)14-11(28)10(27)7(35-14)3-34-38(31,32)36-37(29,30)33-2-5-9(26)6(25)1-18-5/h4-7,9-11,14,18,25-28H,1-3H2,(H,29,30)(H,31,32)(H2,16,20,21)/t5-,6+,7-,9-,10-,11-,14?/m1/s1
Inchi KeyBFCYXBPQPMNMLI-CNIDIVBVSA-N
Molecular SpeciesZWITTERION
Targets1.0
Bioactivities4.0
Np Likeness Score1.24
Records Key['7']
Records Name['2-azido-adenosine Diphosphate (Hydroxymethyl)pyrrolidine dialcohol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure