5724 -OEChem-10051719493D 37 39 0 0 0 0 0 0 0999 V2000 -5.9622 0.1537 -2.5957 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 0.9885 -1.4341 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8648 -1.8062 1.1140 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 -1.8039 1.6793 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 2.7651 0.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 -2.2998 -1.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 -4.1224 -0.8544 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 0.4739 1.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 -0.9408 0.7142 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2675 0.1836 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 1.4555 0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 0.6526 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 -0.8278 1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 1.6380 0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -2.2610 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 0.5290 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 0.0596 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3914 2.5765 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2585 1.1744 -0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 2.4329 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 -0.7137 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 1.6612 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.9985 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 -0.8257 -0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0786 1.5493 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 0.3058 -1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 1.6304 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -0.0848 2.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -2.8742 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -2.2176 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -0.9021 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 3.5700 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 3.3101 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 2.6389 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -1.8021 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 2.4411 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.8001 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 3 21 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 23 1 0 0 0 0 6 37 1 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 15 23 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 M END > DB02132 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SXONDGSPUVNZLO-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2 > InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24) > SXONDGSPUVNZLO-UHFFFAOYSA-N > C17H11BrClFN2O4 > 441.636 > 439.957475409 > 4 > 37 > -0.9997414526629008 > 36.5004776809401 > 1 > 1 > 0 > 1 > 2-{3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetic acid > 3.26 > 3.552645375666666 > -4.64 > 0 > -1 > 3 > -1 > 3.4126523669566535 > -7.433390818808575 > 77.92 > 95.12989999999999 > 4 > 1 > 1.01e-02 g/l > biotin > 0 $$$$