Bioactive Compound Details

BioIDbio199035
NameSESTERSTATIN 2
ChEMBL IDCHEMBL485794
Molecular FormulaC25H38O4
Molecular Weight402.58
Molecular Weight (Monoisotopic)402.277
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsSesterstatin 2
SmilesC[C@]1(CO)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@@H]12)COC5=O
InchiInChI=1S/C25H38O4/c1-22(14-26)9-5-10-23(2)16(22)8-11-24(3)17-7-6-15-13-29-21(28)20(15)25(17,4)19(27)12-18(23)24/h16-19,26-27H,5-14H2,1-4H3/t16-,17-,18+,19+,22+,23-,24-,25+/m0/s1
Inchi KeyBHUWRPVVYSATJU-QDNKKCNYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities6.0
Np Likeness Score2.99
Records Key['3', '2']
Records Name['sesterstatin 2', 'Sesterstatin 2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure