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Amb11134709

Duplicate ID
Molecule Name N-{[7-(2,3-difluorobenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl}-2,5-dimethyl-3-furamide
SmilesCc1oc(c(c1)C(=O)NCc1nnc2n1CCN(CC2)Cc1cccc(c1F)F)C
InchiKeyZCQMYLZPIBWVSL-UHFFFAOYSA-N
InChi InChI=1S/C21H23F2N5O2/c1-13-10-16(14(2)30-13)21(29)24-11-19-26-25-18-6-7-27(8-9-28(18)19)12-15-4-3-5-17(22)20(15)23/h3-5,10H,6-9,11-12H2,1-2H3,(H,24,29)
Formula C21H23F2N5O2
Molecular weight 415.436
Rings 4
logP 3.0832
PSA 76.19
MR 109.452
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