6433095 -OEChem-10061700073D 64 68 0 0 0 0 0 0 0999 V2000 0.7205 2.7013 2.0619 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8612 0.4763 0.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -1.3755 -1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 3.7292 2.9952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 2.0987 2.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3126 0.0465 -0.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 -3.4225 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.4764 1.9952 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 0.1353 0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -1.2907 -1.0988 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 4.1065 0.2409 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 -2.0523 -1.7483 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 -2.1466 0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4557 -1.3934 1.7263 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3976 -2.0218 1.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 -1.5783 2.2274 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 0.5245 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6091 0.0573 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 -0.8577 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 -0.7612 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 3.4057 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -1.2000 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 3.2456 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7193 -0.4696 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1746 -1.2452 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 4.5725 -1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 3.8433 -1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -1.5805 -2.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 -2.3135 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 -1.6747 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6721 4.6732 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9499 -0.6847 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -1.2253 2.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5811 -1.9949 -2.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 5.2246 -3.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6415 -2.7881 -2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8205 -1.6557 1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 -2.1962 2.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4607 -2.4112 2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5351 -1.7416 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 -0.2357 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 1.7178 2.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 2.6744 -0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.9619 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 3.7324 -2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5216 -1.5555 -2.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -1.8469 -3.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 -3.1751 -1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 5.2271 -1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -1.0646 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 -2.2997 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9713 5.5461 -3.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 6.1172 -3.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 4.5282 -3.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2343 -1.9405 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 -3.5022 -3.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7905 -1.8781 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -2.7830 3.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -3.1674 2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4024 -0.0157 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -1.2580 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7101 0.4367 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 -3.7003 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3818 -2.2492 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 6 32 1 0 0 0 0 6 41 1 0 0 0 0 7 36 1 0 0 0 0 7 63 1 0 0 0 0 8 17 1 0 0 0 0 8 42 1 0 0 0 0 9 17 1 0 0 0 0 9 20 2 0 0 0 0 10 19 2 0 0 0 0 10 20 1 0 0 0 0 11 21 2 0 0 0 0 11 31 1 0 0 0 0 12 30 2 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 40 2 0 0 0 0 14 16 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 64 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 23 27 2 0 0 0 0 23 43 1 0 0 0 0 24 32 1 0 0 0 0 24 33 2 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 26 35 1 0 0 0 0 27 45 1 0 0 0 0 28 34 2 0 0 0 0 28 46 1 0 0 0 0 29 36 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 40 1 0 0 0 0 31 49 1 0 0 0 0 32 37 2 0 0 0 0 33 38 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 37 39 1 0 0 0 0 37 57 1 0 0 0 0 38 39 2 0 0 0 0 38 58 1 0 0 0 0 39 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 M END > DB06677 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LFWCJABOXHSRGC-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1 > InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34) > LFWCJABOXHSRGC-UHFFFAOYSA-N > C25H23N9O6S > 577.58 > 577.149200671 > 12 > 64 > 56.119737092260415 > 0 > 3 > 0 > 0 > N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1H-1,2,3,4-tetrazol-5-yl)pyridin-4-yl]pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide > 2.03 > 2.8316685823104333 > -4.13 > 1 > 5 > -2 > 5.215217066259457 > 3.5315417212703126 > 2.11113355105823 > 200.10999999999996 > 169.08319999999995 > 10 > 0 > 4.28e-02 g/l > clazosentan > 0 $$$$