9429 -OEChem-10051719393D 60 63 0 0 0 0 0 0 0999 V2000 -0.3508 -2.7550 -1.5997 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 1.5414 -0.1597 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 2.7573 0.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 1.6354 -1.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 1.3298 -0.4797 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 1.7991 -0.2037 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -0.4342 0.4352 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5912 0.8187 1.1702 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 0.8873 -1.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4654 2.5188 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 1.5947 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 0.6111 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 2.2420 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 1.9247 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 0.8384 1.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1049 1.5326 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -0.4943 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -1.5252 0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -1.5146 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 -2.6476 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 0.4342 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 0.3674 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 -1.5575 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 -1.5741 -1.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 -0.6360 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7142 -3.7308 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -2.6388 1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6811 -3.7253 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2364 -0.4990 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9531 0.8996 2.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 -0.0388 -1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 1.6378 -2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 3.3759 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 2.8101 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 0.7214 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6919 2.4269 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 -0.2448 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 0.3291 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 3.1664 1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7486 1.4904 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3453 2.1270 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 2.8739 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 1.1451 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 0.8184 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8216 1.2462 -0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 0.7330 1.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 2.4349 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 1.2183 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 -0.7839 2.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 -2.3557 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 -0.7146 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 -4.5931 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5109 -2.6330 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -4.5682 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0183 -0.6570 1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7193 -0.5278 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -1.3103 1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 1.9208 2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 0.2167 2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6804 0.6319 3.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 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 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 20 26 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > DB01622 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VZYCZNZBPPHOFY-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1 > InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3 > VZYCZNZBPPHOFY-UHFFFAOYSA-N > C22H30N4O2S2 > 446.629 > 446.181017604 > 5 > 60 > 0.9021183759395687 > 49.62302907778731 > 1 > 0 > 0 > 1 > N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide > 3.09 > 2.831458045999999 > -3.89 > 0 > 1 > 4 > 1 > 7.964511599765915 > 47.10000000000001 > 126.95290000000003 > 5 > 1 > 5.69e-02 g/l > biotin > 0 $$$$