5289321 -OEChem-11261922263D 54 58 0 1 0 0 0 0 0999 V2000 -3.0534 0.0093 1.9015 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3084 -2.9236 -2.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -1.4107 -0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.8844 2.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1031 0.7794 2.5526 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8204 3.2541 -1.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 -0.8744 0.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6959 0.6654 -0.7003 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5639 3.6237 -1.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 -2.0221 -1.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -1.8443 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 -0.0615 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6325 -2.7908 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3465 -0.9848 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -0.6994 0.4665 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3923 0.6485 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 1.6212 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 1.1148 1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -1.3763 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0983 1.6464 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3555 -0.5132 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 0.7460 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 2.8840 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -0.5376 1.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7688 2.9183 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 2.3635 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 3.2678 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 -2.6200 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 -0.8761 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2330 -2.9934 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0962 -2.1297 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8093 -1.5315 -2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 -2.4397 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 -1.3120 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1913 0.6231 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 0.5214 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -3.4104 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 -3.4901 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8978 -0.3982 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1084 -1.4952 -0.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 1.4395 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4022 -0.2487 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 -1.3212 2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 0.4388 2.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 -0.6286 2.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5456 2.6474 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 4.5505 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 4.2293 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 -3.2882 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8193 -2.4033 -3.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 -0.2146 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5055 -2.1880 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -3.9638 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 -2.4433 -0.4160 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 7 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 50 1 0 0 0 0 3 15 1 0 0 0 0 3 52 1 0 0 0 0 6 25 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 23 1 0 0 0 0 9 25 1 0 0 0 0 9 47 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 28 2 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 29 2 0 0 0 0 22 42 1 0 0 0 0 23 27 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > DB03583 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AYOAIABDFUJDKQ-SQJPUDIVSA-N/SDF?record_type=3d > [H]N1C(=O)\C(C2=C1C=CC(=C2)S(=O)(=O)N1CCC(O)CC1)=C1/N([H])C2=CC=CC=C2[C@]1(C)O > InChI=1S/C22H23N3O5S/c1-22(28)16-4-2-3-5-18(16)23-20(22)19-15-12-14(6-7-17(15)24-21(19)27)31(29,30)25-10-8-13(26)9-11-25/h2-7,12-13,23,26,28H,8-11H2,1H3,(H,24,27)/b20-19-/t22-/m0/s1 > AYOAIABDFUJDKQ-SQJPUDIVSA-N > C22H23N3O5S > 441.5 > 441.135841551 > 6 > 54 > 45.733583824093536 > 1 > 4 > 0 > 1 > (Z,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1',2'-dihydro-1H,3H-[2,3'-biindolyliden]-2'-one > 1.55 > -0.005576460333332756 > -3.40 > 0 > 5 > 0 > 13.500227247564569 > 10.54708180708804 > -1.885658057082461 > 118.96999999999998 > 119.83239999999999 > 1 > 1 > 1.76e-01 g/l > {4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]phenyl}difluoromethylphosphonic acid > 0 $$$$