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STK588080 1212197-59-5 wiki
Iupac Name:(2 S,3S,3 S,10 bR)-3 -(1,3-benzodioxole-5-carbonyl)-2 -(3-prop-2-enoxybenzoyl)spiro[1H-indole-3,1 -3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline]-2-one
CAS No.:1212197-59-5
Molecular Weight:596.639
[3-(methylamino)propyl]({3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl}methyl)amine hydrochloride AKOS032408422 MCULE-4189225805
1.6 Inchi InChI=1S/C37H28N2O6/c1-2-18-43-25-10-7-9-23(19-25)33(40)31-32(34(41)24-14-15-29-30(20-24)45-21-44-29)39-17-16-22-8-3-4-11-26(22)35(39)37(31)27-12-5-6-13-28(27)38-36(37)42/h2-17,19-20,31-32,35H,1,18,21H2,(H,38,42)/t31-,32-,35+,37+/m0/s1
1.8 Canonical Smiles C=CCOC1=CC=CC(=C1)C(=O)C2C(N3C=CC4=CC=CC=C4C3C25C6=CC=CC=C6NC5=O)C(=O)C7=CC8=C(C=C7)OCO8
CACTVS Substructure Key Fingerprint:
AAADceB/OAAAAAAAAAAAAAAAAAAAAWLEgAAwYMGCAAAAAFiBVAAAHgAQAAAADyzhmAcwzoPABACI
AqVWUACCCAAlIgAIiAGO7MgdJjrE9bumOSrk1BHO6Yef3/P/oAABAAASQABAAAIAACSAAAAAAAAA
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