46937116 -OEChem-01022019413D 37 40 0 0 0 0 0 0 0999 V2000 -2.6441 -3.0992 -1.9568 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 3.3064 -1.3373 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 1.3173 1.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 2.4145 -0.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -2.9296 1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -1.2019 -0.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8445 -0.6698 1.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -1.9996 -0.0475 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 -0.6488 1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -0.7603 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 0.4650 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.2360 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 0.1409 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 0.1244 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -1.7777 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 -1.2711 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 -1.8860 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5526 1.2047 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 1.7555 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5652 -1.0136 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 1.0611 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 -2.0143 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 2.1692 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 2.7104 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 2.3665 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 0.2363 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5524 -1.5118 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -2.6828 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 1.4096 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4859 0.9105 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 2.0487 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -1.1250 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 0.8729 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3729 1.7605 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 3.1340 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 3.7350 -0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 -1.8429 -0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 25 2 0 0 0 0 21 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END > DB08011 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DXIHOIDYHQSQKJ-HMMYKYKNSA-N/SDF?record_type=3d > O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2 > InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+ > DXIHOIDYHQSQKJ-HMMYKYKNSA-N > C17H12F2N2O4 > 346.285 > 346.076513292 > 5 > 37 > 0.00018515150373228556 > 31.007536754997023 > 1 > 1 > 0 > 1 > (3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one > 2.491647875666666 > 0 > -1 > 4 > -1 > 6.694383175080866 > -3.840728173903166 > 71.36000000000001 > 83.32880000000002 > 2 > 1 > (3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)indol-2-one > 0 $$$$