Bioactive Compound Details

BioIDbio200596
Name2-IMINOBIOTIN
ChEMBL IDCHEMBL1233598
Molecular FormulaC10H17N3O2S
Molecular Weight243.33
Molecular Weight (Monoisotopic)243.1041
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
Synonyms2-Iminobiotin|GUANIDINOBIOTIN
SmilesN=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)O)N1
InchiInChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1
Inchi KeyWWVANQJRLPIHNS-ZKWXMUAHSA-N
Molecular SpeciesZWITTERION
Targets4.0
Bioactivities10.0
Np Likeness Score0.72
Records Key['SID174007481', '2-Iminobiotin', '2-IMINOBIOTIN', '2-Iminobiotin', '2-IMINOBIOTIN', '2-Iminobiotin']
Records Name['SID174007481', '2-Iminobiotin', '2-IMINOBIOTIN', '2-Iminobiotin', '2-IMINOBIOTIN', '2-Iminobiotin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure