Bioactive Compound Details

BioIDbio198786
NameNone
ChEMBL IDCHEMBL1222317
Molecular FormulaC28H30N2O6S
Molecular Weight522.62
Molecular Weight (Monoisotopic)426.1943
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsWIN-55212-2
SmilesCS(=O)(=O)O.Cc1c(C(=O)c2cccc3ccccc23)c2cccc3c2n1[C@H](CN1CCOCC1)CO3
InchiInChI=1S/C27H26N2O3.CH4O3S/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28;1-5(2,3)4/h2-11,20H,12-17H2,1H3;1H3,(H,2,3,4)/t20-;/m1./s1
Inchi KeyFSGCSTPOPBJYSX-VEIFNGETSA-N
Molecular SpeciesNEUTRAL
Targets53.0
Bioactivities103.0
Np Likeness Score-0.43
Records Key['(R)-(+)-WIN-55212-2 mesylate', 'NCGC00094513-01, (R)-(+)-WIN-55212-2 mesylate', 'SID50107233', 'SID11112092', 'SID46500354', 'WIN-55212-2', 'WIN-55,212-2', '3; R-(+)-WIN55212', 'EOS101133', 'EOS101133']
Records Name['(+)-(R)-(5-methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone methanesulfonate', '(R)-(5-methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone methanesulfonate', 'SID50107233', 'SID11112092', 'SID46500354', '(R)-(5-methyl-3-(morpholinomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-hi]indol-6-yl)(naphthalen-1-yl)methanone methanesulfonate', '(R)-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenylmethanone mesylate', 'R-(+)-[2,3-dihydro-5-methyl-3-(4-morpholinylmethyl)pyrrolo-[1,2,3-de]-1,4 benzoxazin-6-yl]-1-naphthalenylmethanonemesylate', '(+)-WIN 55,212-2 (mesylate)', '(+)-WIN 55,212-2 (mesylate)']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure