2059510 -OEChem-10051721193D 50 53 0 0 0 0 0 0 0999 V2000 -0.6257 2.7021 -0.0246 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 -4.8984 0.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2208 -0.1290 0.3503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -1.6200 1.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.4823 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 4.0958 -0.1716 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4069 2.8622 -0.2237 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 0.6747 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 1.6550 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 1.3616 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -0.7567 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 2.8867 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 1.6753 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 0.9785 0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 -1.4064 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -1.5003 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 0.8379 1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 0.7451 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9374 0.4553 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6263 -2.7979 1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 -2.8916 -1.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 -3.5405 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 3.9829 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1829 0.4660 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 0.3734 -0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9113 0.2338 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4305 -0.9817 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 -5.5951 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9058 -0.3507 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 -0.3899 -0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 -0.8426 2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 -1.0090 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 1.0148 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 0.8494 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 0.9785 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2887 0.9582 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7046 -3.2977 2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -3.4064 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 4.9168 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 0.3587 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8034 0.2083 -1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 -1.0111 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 -1.5501 -1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0652 -1.6444 1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 -5.3388 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -5.4456 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7451 -6.6638 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9596 0.5635 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9347 -0.6310 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4718 -1.1883 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 27 1 0 0 0 0 4 44 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 12 2 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 24 1 0 0 0 0 17 33 1 0 0 0 0 18 25 2 0 0 0 0 18 34 1 0 0 0 0 19 27 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END > DB08392 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ARBUGBBNEFAECO-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1 > InChI=1S/C22H21N3O4/c1-27-16-7-3-14(4-8-16)18-19-21(23-11-12-26)24-13-25-22(19)29-20(18)15-5-9-17(28-2)10-6-15/h3-10,13,26H,11-12H2,1-2H3,(H,23,24,25) > ARBUGBBNEFAECO-UHFFFAOYSA-N > C22H21N3O4 > 391.4198 > 391.153206175 > 6 > 50 > 0.00012002212428947271 > 41.212895690457756 > 1 > 2 > 0 > 1 > 2-{[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino}ethan-1-ol > 3.45 > 2.8525638733333336 > -3.71 > 1 > 0 > 4 > 0 > 18.913648206477855 > 15.573835247661735 > 3.0896101687429605 > 89.64 > 111.39190000000002 > 7 > 1 > 7.60e-02 g/l > biotin > 0 $$$$