4369432 -OEChem-10051721063D 45 48 0 1 0 0 0 0 0999 V2000 -1.0682 2.2732 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 -1.1030 2.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8821 -0.1864 -0.5391 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9417 2.1938 -0.4261 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 3.5490 -0.1151 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.1102 -0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 0.1925 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 1.0480 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 0.9485 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 2.3774 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -1.2407 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3908 -0.8893 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7674 0.6485 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 -0.7710 -1.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -1.9995 0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -1.8773 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 -0.4337 0.9283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 0.4409 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 0.5634 -0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2661 3.3567 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 -3.3925 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 -3.2703 -1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -4.0280 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 0.1504 1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9508 0.2729 -0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4839 0.0663 0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 -1.9753 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 -0.7164 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -0.6106 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 -1.8506 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -0.3140 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 -1.5200 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5037 -1.3018 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 0.6448 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -0.6696 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 0.5026 2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1949 0.7214 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 4.2560 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -3.9824 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5173 -3.7650 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 -5.1127 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 -0.0106 2.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 0.2071 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5398 -0.1600 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -0.8638 2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 8 1 0 0 0 0 4 20 2 0 0 0 0 5 10 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 9 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 21 1 0 0 0 0 15 32 1 0 0 0 0 16 22 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 24 1 0 0 0 0 18 36 1 0 0 0 0 19 25 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END > DB07654 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VDJWWYRYKMXMKA-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C21H19N3O2/c1-24(12-13-25)20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)26-21(18)23-14-22-20/h2-11,14,25H,12-13H2,1H3 > VDJWWYRYKMXMKA-UHFFFAOYSA-N > C21H19N3O2 > 345.3945 > 345.147726867 > 4 > 45 > 8.404231123938193e-05 > 37.413120235116764 > 1 > 1 > 0 > 1 > 2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}(methyl)amino)ethan-1-ol > 3.44 > 3.8031721359999997 > -3.67 > 0 > 0 > 4 > 0 > 15.577145964514331 > 2.936103549000648 > 62.39 > 102.7003 > 5 > 1 > 7.35e-02 g/l > biotin > 0 $$$$