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Amb2682216

Duplicate ID
Molecule Name 10-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylene}-7-(3-fluorophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
SmilesFc1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C/c1cn(c4c1cccc4)Cc1ccc(cc1)Cl)/s3)c1c(CC2)cccc1
InchiKeyJZXOXBILRYPYHQ-MZFJOGFUSA-N
InChi InChI=1S/C36H25ClFN3OS/c37-26-15-12-22(13-16-26)20-40-21-25(28-9-3-4-11-31(28)40)19-32-35(42)41-34(24-7-5-8-27(38)18-24)30-17-14-23-6-1-2-10-29(23)33(30)39-36(41)43-32/h1-13,15-16,18-19,21,34H,14,17,20H2/b32-19-
Formula C36H25ClFN3OS
Molecular weight 602.12
Rings 8
logP 6.5498
PSA 67.53
MR 175.678
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