5568 -OEChem-10051719163D 43 45 0 0 0 0 0 0 0999 V2000 -1.6947 3.1524 0.1221 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 1.7724 -0.3395 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2971 0.2439 1.0932 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -0.1244 -1.0361 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9856 0.1578 0.5636 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 -4.5701 -0.3902 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -1.1406 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4407 -2.2057 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1115 1.0179 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 0.4252 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1823 -3.6111 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 2.3925 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7703 1.7411 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 0.5386 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 -0.6066 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 1.3841 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 3.2396 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1055 1.9999 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 2.7367 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -0.3442 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 -5.8870 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2091 -4.1054 -1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 0.9607 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 0.8323 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1575 -1.0744 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -1.4511 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4119 -1.8744 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 -2.2642 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 -3.9326 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 -3.5651 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -0.5042 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -1.6496 0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 4.3036 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 3.0172 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1259 3.4146 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -1.1626 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 -6.2480 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 -5.8721 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5491 -6.6233 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 -4.9053 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 -3.7937 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9052 -3.2920 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0492 1.1703 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > DB00508 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XSCGXQMFQXDFCW-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F > InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3 > XSCGXQMFQXDFCW-UHFFFAOYSA-N > C18H19F3N2S > 352.417 > 352.122103923 > 2 > 43 > 0.9936864650656048 > 35.285329139831084 > 1 > 0 > 0 > 1 > dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine > 4.95 > 4.808804047666666 > -5.29 > 0 > 1 > 3 > 1 > 9.196976786458706 > 6.48 > 94.92520000000002 > 5 > 1 > 1.80e-03 g/l > tetrahydrofolic acid > 1 $$$$