30281577 -OEChem-10051721063D 41 44 0 0 0 0 0 0 0999 V2000 -1.5319 2.1987 0.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -1.8726 1.6880 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9605 -1.2094 -0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 0.5801 -0.5329 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4099 2.9760 -0.3723 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 3.8727 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 1.4706 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2748 0.3455 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 0.8414 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 1.7041 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 2.5883 -0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -1.0560 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8516 0.2502 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 0.1006 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -1.7921 0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -1.6824 -1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -0.5394 -0.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 0.4665 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 3.9673 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -3.1544 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.0447 -1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -3.7808 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6285 -1.1127 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -0.1070 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 -1.1141 0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3827 -0.8967 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.1812 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 0.8829 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 0.9307 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -0.1160 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -1.3202 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1968 -1.1229 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.7091 -1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 1.0772 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 4.9743 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8051 -3.7273 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -3.5322 -2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0281 -1.7248 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 0.0608 2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8062 -4.8414 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3683 -1.3428 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 25 1 0 0 0 0 3 25 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 19 2 0 0 0 0 6 11 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 0 0 0 0 14 30 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 23 1 0 0 0 0 17 33 1 0 0 0 0 18 24 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 40 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB07653 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VXTCEUDVOCLEJG-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C20H15N3O3/c24-15(25)11-21-19-17-16(13-7-3-1-4-8-13)18(14-9-5-2-6-10-14)26-20(17)23-12-22-19/h1-10,12H,11H2,(H,24,25)(H,21,22,23) > VXTCEUDVOCLEJG-UHFFFAOYSA-N > C20H15N3O3 > 345.3514 > 345.111341361 > 5 > 41 > -0.9951225281753929 > 35.37341478829768 > 1 > 2 > 0 > 1 > 2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}amino)acetic acid > 3.58 > 3.207296576252493 > -3.80 > 0 > -1 > 4 > -1 > 16.432913314081635 > 4.697131800517893 > 2.994096458116092 > 88.25000000000001 > 98.2578 > 5 > 1 > 5.50e-02 g/l > biotin > 0 $$$$