11430856 -OEChem-01051815233D 69 71 0 0 0 0 0 0 0999 V2000 -5.1484 0.2612 0.6904 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 0.6145 2.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 -0.9298 0.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5885 -2.1084 0.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9957 1.8955 -0.2589 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2802 1.5909 0.0531 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 0.9956 0.2114 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 -1.6220 -0.8984 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6558 -0.6247 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9620 -0.2965 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3773 -2.1336 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1372 -1.1003 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5552 -2.9343 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4867 0.1508 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8532 -2.5991 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 2.8620 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 0.6728 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 2.4755 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2215 2.2873 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6008 0.0251 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 1.7462 -0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8936 1.5744 -1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5945 2.3469 -1.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 0.5034 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 -0.3137 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 0.8299 1.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8853 -0.8039 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7607 0.3396 2.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4537 -0.4772 1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -2.2043 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2391 -3.0239 -1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8038 -0.3272 1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8494 -0.5092 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1857 0.7732 -0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4914 -2.3762 0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1708 -2.4585 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0371 -0.8877 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3456 -0.7823 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6715 -2.7230 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3474 -4.0063 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8061 1.1809 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 -0.2910 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6864 -3.1390 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7879 -2.9434 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 3.7748 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 3.1513 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 0.8913 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6918 -0.0674 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 2.5029 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2568 3.5185 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5585 2.5214 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8726 2.1651 1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 3.0108 0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9777 -0.8431 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -0.3484 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 0.6900 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6469 1.7725 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7588 0.5455 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 2.0365 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 3.3914 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 2.3527 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 -0.5599 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9829 1.4513 2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 0.5917 3.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 -0.8185 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 -1.8142 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2391 -3.4406 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -3.8439 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 -2.3927 -2.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 4 30 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 22 1 0 0 0 0 6 51 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 8 27 1 0 0 0 0 8 30 1 0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 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 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 M END > DB05562 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SPWZXWDPAWDKQE-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NC1=CC=CC(=C1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1 > InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28) > SPWZXWDPAWDKQE-UHFFFAOYSA-N > C23H38N4O3S > 450.64 > 450.266462274 > 5 > 69 > 51.91659347817879 > 1 > 2 > 0 > 1 > N-(3-{4-[4-(cyclohexylmethanesulfonamido)butyl]piperazin-1-yl}phenyl)acetamide > 2.68 > 2.526816123333333 > -3.96 > 1 > 3 > 1 > 14.272539979418575 > 11.082061497852449 > 7.6408333907342 > 81.75 > 127.77309999999997 > 9 > 1 > 4.89e-02 g/l > naluzotan > 0 $$$$