24751752 -OEChem-10051722383D 45 47 0 1 0 0 0 0 0999 V2000 7.3296 -2.8989 0.1249 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 1.7376 -0.5192 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4935 1.4681 0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7285 1.3334 -1.8573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 2.9667 0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5162 -1.1944 2.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6199 -2.9964 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 1.7032 -0.3878 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 -0.8291 -0.9393 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 -2.4295 0.5419 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -0.8016 0.2156 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1421 -0.1332 0.3296 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0186 0.5564 -1.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 1.9313 0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.0928 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7531 0.4073 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5147 0.8262 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 2.2191 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2136 0.9446 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 -1.2890 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 -2.1851 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 0.4559 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 0.7682 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -0.2773 -0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 -1.7917 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2281 -1.5847 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 0.4353 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 -0.3752 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 1.0511 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 2.7907 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 -0.3983 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 0.7848 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 0.2084 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6937 1.6905 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 -0.0221 -1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7941 2.3619 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 3.1650 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2156 0.4976 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1175 1.5222 1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 1.6353 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -0.3825 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -3.3362 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 1.7934 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7352 -0.0594 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 -2.7884 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 6 20 2 0 0 0 0 7 21 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 41 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 42 1 0 0 0 0 11 22 2 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M END > DB11961 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SFJFBTPHDHUUPU-OAHLLOKOSA-N/SDF?record_type=3d > C[C@]1(CS(=O)(=O)N2CCC(CC2)OC2=CC=C(Cl)C=N2)NC(=O)NC1=O > InChI=1S/C15H19ClN4O5S/c1-15(13(21)18-14(22)19-15)9-26(23,24)20-6-4-11(5-7-20)25-12-3-2-10(16)8-17-12/h2-3,8,11H,4-7,9H2,1H3,(H2,18,19,21,22)/t15-/m1/s1 > SFJFBTPHDHUUPU-OAHLLOKOSA-N > C15H19ClN4O5S > 402.85 > 402.0764686 > 6 > 45 > 37.73151985259 > 1 > 2 > 0 > 1 > (5S)-5-[({4-[(5-chloropyridin-2-yl)oxy]piperidin-1-yl}sulfonyl)methyl]-5-methylimidazolidine-2,4-dione > 0.64 > -0.27969041333333416 > -3.23 > 0 > 3 > 0 > 17.797706460616737 > 8.879282858166855 > 0.8848391688413971 > 117.7 > 92.4654 > 4 > 1 > 2.37e-01 g/l > (5S)-5-({4-[(5-chloropyridin-2-yl)oxy]piperidin-1-ylsulfonyl}methyl)-5-methylimidazolidine-2,4-dione > 0 $$$$