24996872 -OEChem-10051722503D 60 63 0 0 0 0 0 0 0999 V2000 -9.6223 -0.7446 0.2268 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 1.0459 -0.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 0.5759 1.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2299 -0.3878 -1.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7987 -2.0887 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 0.1060 0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6295 -0.4915 -0.3057 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3527 0.3842 1.6802 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -0.6020 -0.4612 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 0.3205 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -0.8628 -1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9831 0.8547 0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8687 -0.4787 -1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 1.2300 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -0.0880 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6268 0.0310 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.2506 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 0.8715 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0415 -0.6635 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9183 1.9292 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -0.3632 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2048 -2.1987 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6197 0.0158 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 1.7227 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7742 0.4499 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1861 0.1617 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 0.8420 -0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6497 -0.7974 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9149 -0.3957 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4513 0.5632 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0141 -1.0760 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2319 0.3851 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 1.1284 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2466 -1.6961 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0926 -1.2234 -2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 1.7374 0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 0.0937 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0584 0.2426 -2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4532 -1.3804 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 1.5265 1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6218 2.0982 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9209 -0.8859 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.4515 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6881 -0.3583 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 2.9143 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 -1.2523 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -2.5838 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -2.7050 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2552 -2.4656 -0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0553 -0.2716 -1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 -0.2664 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5699 1.1064 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9422 2.5450 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7462 1.5904 -1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 -1.3346 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1353 1.1092 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3541 -1.8214 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3059 0.2200 1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7262 0.1858 2.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0448 1.4077 1.1251 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 29 1 0 0 0 0 1 32 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 17 2 0 0 0 0 9 21 1 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > DB12627 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AYJRTVVIBJSSKN-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=NOC(=N1)N1CCC(COC2=CC=C(N=C2)C2=CC=C(C=C2)S(C)(=O)=O)CC1 > InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3 > AYJRTVVIBJSSKN-UHFFFAOYSA-N > C23H28N4O4S > 456.56 > 456.183126572 > 7 > 60 > 50.71978952134297 > 1 > 0 > 0 > 1 > 2-(4-methanesulfonylphenyl)-5-({1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl}methoxy)pyridine > 4.02 > 4.108643160333334 > -3.83 > 1 > 4 > 0 > 19.687911901169624 > 3.7058249353629265 > 98.41999999999999 > 123.8149 > 7 > 1 > 6.79e-02 g/l > 5-{[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy}-2-(4-methanesulfonylphenyl)pyridine > 0 $$$$