459963 -OEChem-10311914043D 47 49 0 0 0 0 0 0 0999 V2000 0.0026 -0.7164 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3255 1.3043 0.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3271 1.3027 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 2.3878 -0.8696 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 2.3851 0.8722 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1589 0.5360 0.2824 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1596 0.5354 -0.2860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -1.5311 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0858 -1.5286 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3587 -0.8548 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 -0.8564 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 -2.8494 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 -2.8498 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 -1.5953 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 -1.5946 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 0.5392 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 0.5408 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 0.4522 -0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 0.4521 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -0.9417 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 -0.9419 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6402 1.1927 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6421 1.1933 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 1.1333 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1071 1.1321 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 0.5870 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3926 0.5862 -0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3565 -3.7154 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 -3.7160 0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5332 -2.6821 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5336 -2.6817 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 1.1508 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 1.1536 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6759 -1.5416 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6763 -1.5424 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 2.2790 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 2.2797 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 2.8720 -0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 2.8306 -1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 2.8686 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4181 2.8273 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5409 -0.3710 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1901 0.4229 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3060 1.1800 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1880 0.4248 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3066 1.1784 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5412 -0.3733 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 26 1 0 0 0 0 3 7 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 25 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 24 2 3 0 0 0 7 25 2 3 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 16 32 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > DB06532 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UKOQVLAXCBRRGH-UHFFFAOYSA-N/SDF?record_type=3d > CONC(=N)C1=CC=C(C=C1)C1=CC=C(O1)C1=CC=C(C=C1)C(=N)NOC > InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24) > UKOQVLAXCBRRGH-UHFFFAOYSA-N > C20H20N4O3 > 364.405 > 364.15354052 > 6 > 47 > 40.57568249916419 > 1 > 4 > 0 > 0 > N-methoxy-4-{5-[4-(N-methoxycarbamimidoyl)phenyl]furan-2-yl}benzene-1-carboximidamide > 2.65 > 2.9681059136666663 > -3.74 > 1 > 3 > 2 > 8.834888574621434 > 103.36 > 145.4232 > 6 > 1 > 6.63e-02 g/l > pafuramidine > 0 $$$$