Bioactive Compound Details

BioIDbio199594
NameNone
ChEMBL IDCHEMBL72885
Molecular FormulaC28H31N3O3
Molecular Weight457.57
Molecular Weight (Monoisotopic)457.2365
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms5'-(2-Aminoethyl)Natrindole
SmilesNCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4C1(CCN2CC1CC1)C3O5
InchiInChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1
Inchi KeyZYESGPQRGYSCFE-SXOXXYQQSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities10.0
Np Likeness Score1.3
Records Key['3']
Records Name[5'-(2-aminoethyl)Natrindole"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure