5288814 -OEChem-10051719533D 46 47 0 1 0 0 0 0 0999 V2000 -0.0284 1.4895 0.2799 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -2.7675 0.9619 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0999 2.4282 -0.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 1.8828 1.6336 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 0.6229 -1.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 2.7360 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -0.4699 0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 0.0447 -0.1108 N 0 0 2 0 0 0 0 0 0 0 0 0 3.5872 1.8380 0.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7311 -1.5594 0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1902 -0.1043 0.4057 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4580 -0.5960 -1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -1.8932 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -3.0514 -0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 -2.0507 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7097 -1.6155 1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0836 0.8095 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 0.9022 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 0.9383 -0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 0.4164 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7474 0.4748 -0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5507 -0.0468 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -0.0180 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3072 -0.4108 -0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.2593 1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.7812 -2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 0.0638 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -1.7360 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 -2.2122 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 -3.9167 -0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -3.3608 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -1.4960 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8218 -3.1026 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -1.9732 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5474 -0.9229 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -1.3372 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.6158 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 2.0606 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 1.3305 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 0.3780 2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 0.5289 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -0.4312 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 3.5721 0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4341 0.6219 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3090 -0.8102 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8476 -1.0478 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 43 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 17 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > DB02350 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CYYCSKFJEOSZTF-CYBMUJFWSA-N/SDF?record_type=3d > [H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO > InChI=1S/C15H22N2O5S2/c1-15(2)13(14(18)16-19)17(9-4-10-23-15)24(20,21)12-7-5-11(22-3)6-8-12/h5-8,13,19H,4,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1 > CYYCSKFJEOSZTF-CYBMUJFWSA-N > C15H22N2O5S2 > 374.476 > 374.097013204 > 5 > 46 > -0.01958307240034992 > 36.73521604489191 > 1 > 2 > 0 > 1 > (3R)-N-hydroxy-4-(4-methoxybenzenesulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide > 1.34 > 0.9713018959999993 > -3.22 > 0 > 0 > 2 > 0 > 16.726393962754777 > 8.699529975738702 > -4.849659258333791 > 95.94 > 92.96209999999999 > 3 > 1 > 2.24e-01 g/l > tetrahydrofolic acid > 0 $$$$