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Amb1006517

Duplicate ID
Molecule Name 1,3-dioxo-N-{3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2-{4-[({3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}amino)carbonyl]phenyl}isoindoline-5-carboxamide
SmilesO=C1c2ccc(cc2C(=O)N1c1ccc(cc1)C(=O)Nc1cccc(c1)/C=C/C(=O)c1ccccc1)C(=O)Nc1cccc(c1)/C=C/C(=O)c1ccccc1
Cas Number
InchiKeySJOOTSDVAVWWKD-RPCRKUJJSA-N
InChi InChI=1S/C46H31N3O6/c50-41(32-11-3-1-4-12-32)25-17-30-9-7-15-36(27-30)47-43(52)34-19-22-38(23-20-34)49-45(54)39-24-21-35(29-40(39)46(49)55)44(53)48-37-16-8-10-31(28-37)18-26-42(51)33-13-5-2-6-14-33/h1-29H,(H,47,52)(H,48,53)/b25-17+,26-18+
Formula C46H31N3O6
Molecular weight 721.755
Rings 7
logP 8.995
PSA 129.72
MR 215
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