23106477 -OEChem-05201911143D 62 65 0 1 0 0 0 0 0999 V2000 -0.7209 1.7716 -0.5262 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 4.0494 -1.8848 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -1.6953 0.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 1.0757 -1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 2.6764 -0.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 2.1953 -0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3739 0.3360 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0602 0.6369 0.7470 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.2785 2.7089 0.0203 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -1.8359 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0695 -2.1373 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 -2.9793 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9803 -3.4499 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -4.1513 -0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.5939 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 -0.6378 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -2.9482 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 1.2191 2.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -1.7407 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7955 0.5746 3.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3439 1.0737 4.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 0.7616 3.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 2.8120 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 -2.0189 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 -1.2848 -0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 -1.8550 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 -0.0142 -1.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 4.4959 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 3.6754 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 -1.1545 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 0.6864 -1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 -3.2146 0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 0.1162 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2506 0.8465 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5763 -2.2877 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -1.3573 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -3.2170 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8658 -4.0793 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 -4.7830 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 -4.7444 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6859 0.2249 0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -3.8466 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 1.1187 2.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 2.2951 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 -0.5067 3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 0.8844 4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 0.5636 5.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 2.1504 4.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 0.3191 2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 1.8241 3.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 0.2815 4.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 -3.1033 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 -1.7271 -1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 0.4367 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 5.3096 -1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 3.7399 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 -1.5980 0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 1.6682 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 -3.4524 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 -3.9798 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 -3.2815 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 2.6783 -0.2720 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 23 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 3 19 1 0 0 0 0 3 24 1 0 0 0 0 6 34 1 0 0 0 0 6 62 1 0 0 0 0 7 34 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 23 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 14 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 2 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 31 2 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 33 2 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 M END > DB15325 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ALLLQQUASFFEKP-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)CN(C1=CC2=C(CCC2)C=C1OCC1=CC=C(C=C1C)C(O)=O)S(=O)(=O)C1=NC=CS1 > InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29) > ALLLQQUASFFEKP-UHFFFAOYSA-N > C25H28N2O5S2 > 500.63 > 500.143964358 > 6 > 62 > 52.52523465265149 > 0 > 1 > 0 > 0 > 3-methyl-4-[({6-[N-(2-methylpropyl)1,3-thiazole-2-sulfonamido]-2,3-dihydro-1H-inden-5-yl}oxy)methyl]benzoic acid > 3.91 > 6.017424817 > -5.54 > 1 > 4 > -1 > 4.065098451780623 > -1.7626570289479162 > 96.8 > 132.46719999999996 > 8 > 0 > 1.43e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$