5574 -OEChem-10051719333D 43 45 0 1 0 0 0 0 0999 V2000 -2.6482 1.1226 1.2881 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4474 -0.1408 -0.5076 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 -1.1162 0.5089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -0.7047 0.0477 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7684 -0.8218 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -1.3446 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 -1.2921 1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 -0.9369 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 1.2693 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -0.4643 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3503 1.9604 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 -2.2153 -0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 2.0474 -1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 0.3166 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5377 -1.8070 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 -1.2551 0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 3.3598 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 -2.9950 -0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 3.4384 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -2.5157 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 4.0951 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 0.3594 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0699 -0.4471 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 -1.8958 -1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.9524 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -2.4238 -0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 -0.7957 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -1.1742 2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 -2.3611 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 -2.6404 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 1.6020 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5055 0.4786 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8048 0.8169 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 0.8266 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3578 -2.8845 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 -1.6829 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8934 -1.4383 -0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6512 -0.8954 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 3.8931 1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 -3.9700 -1.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 4.0041 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8177 -3.1167 0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 5.1754 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > DB01246 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZZHLYYDVIOPZBE-UHFFFAOYSA-N/SDF?record_type=3d > CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12 > InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3 > ZZHLYYDVIOPZBE-UHFFFAOYSA-N > C18H22N2S > 298.446 > 298.150369404 > 2 > 43 > 0.9962243750033121 > 34.82964575826307 > 1 > 0 > 0 > 1 > dimethyl[2-methyl-3-(10H-phenothiazin-10-yl)propyl]amine > 4.82 > 4.410279125333334 > -4.55 > 0 > 1 > 3 > 1 > 9.421368309589386 > 6.48 > 93.36790000000003 > 4 > 1 > 8.35e-03 g/l > tetrahydrofolic acid > 1 $$$$