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Amb22334971

Duplicate ID
Molecule Name 10-(1,3-benzodioxol-5-ylmethyl)-8-(thiophen-2-ylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
SmilesO=C(C1C2C(C3c4ccccc4C=CN31)C(=O)N(Cc1cc3OCOc3cc1)C2=O)c1ccc[s]1
InchiKeyRZXFEJQTFGXPQQ-UHFFFAOYSA-N
InChi InChI=1S/C27H20N2O5S/c30-25(20-6-3-11-35-20)24-22-21(23-17-5-2-1-4-16(17)9-10-28(23)24)26(31)29(27(22)32)13-15-7-8-18-19(12-15)34-14-33-18/h1-12,21-24H,13-14H2
Formula C27H20N2O5S
Molecular weight 484.523
Rings 7
logP 3.7465
PSA 104.39
MR 136.163
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