Mrv1572004041620222D 40 42 0 0 0 0 999 V2000 -2.5418 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5418 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 -0.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 -0.4124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6853 -1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 -2.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9961 -1.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5418 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 12 9 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 10 15 1 0 0 0 0 18 15 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 23 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 12 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 8 37 1 0 0 0 0 22 38 2 0 0 0 0 22 39 2 0 0 0 0 M END > DBSALT001842 > drugbank > O.COC1=C(OC2=C(OCCO)N=C(N=C2NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C2=NC=CC=N2)C=CC=C1 > InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2 > SXTRWVVIEPWAKM-UHFFFAOYSA-N > C27H31N5O7S > 569.63 > 569.194419532 > 9 > 71 > 56.48687520771735 > 1 > 2 > 0 > 0 > 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidine]-4-yl]benzene-1-sulfonamide hydrate > 4.18 > 4.941747168000001 > -4.79 > 1 > 4 > -1 > 15.098839159321948 > 5.795967202352686 > -0.43048899430187426 > 145.65 > 166.65720000000005 > 10 > 0 > 9.04e-03 g/l > 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidine]-4-yl]benzenesulfonamide hydrate > 0 > DBSALT001842 > Bosentan monohydrate > DB00559 > Bosentan > 157212-55-0 > Q326023R30 $$$$