5289162 -OEChem-10051721203D 38 40 0 0 0 0 0 0 0999 V2000 -3.6353 -2.8124 1.2177 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.9516 0.3653 0.7458 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 0.3456 -1.2694 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 -1.8338 -1.2385 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 3.0895 1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 2.8822 0.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 0.2238 -0.2974 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 -0.6990 0.7837 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2577 -0.1565 -0.5775 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 0.2713 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 1.3613 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -0.7944 -1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1579 1.3868 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 0.3216 -1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 -0.7690 -1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 -0.5354 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -0.7843 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3644 -1.3943 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 0.6025 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 2.4901 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6935 -1.1153 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 0.8815 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3111 0.0226 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -0.1958 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1892 -1.2184 1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -0.6926 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5607 -1.2429 1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -1.6747 -1.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7405 1.0253 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7726 2.2317 -0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -1.6013 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7347 1.2804 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -1.7842 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0689 1.7709 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6281 3.8477 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -1.6280 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -0.6668 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 -1.6661 2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 4 17 2 0 0 0 0 5 20 1 0 0 0 0 5 35 1 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 29 1 0 0 0 0 8 24 1 0 0 0 0 8 25 2 0 0 0 0 9 24 2 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 27 2 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 M END > DB08402 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VNDRRWBKNSHALL-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1 > InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26) > VNDRRWBKNSHALL-UHFFFAOYSA-N > C18H11Cl2N3O4 > 404.204 > 403.012661269 > 5 > 38 > -0.9998113670818451 > 37.664356668161396 > 1 > 2 > 0 > 1 > 2-(2,4-dichlorobenzamido)-5-(pyrimidin-2-yloxy)benzoic acid > 3.28 > 4.836365727333334 > -4.50 > 0 > -1 > 3 > -1 > 14.394044568778556 > 3.2758493972396487 > 0.9713993969127046 > 101.41000000000001 > 101.30839999999998 > 5 > 1 > 1.28e-02 g/l > biotin > 0 $$$$