4927 -OEChem-10051719293D 40 42 0 1 0 0 0 0 0999 V2000 2.2418 -1.5610 1.0139 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 0.1035 -0.3327 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2605 1.8089 0.3947 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 0.9162 0.6435 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1766 0.9701 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 0.7227 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 -1.2931 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 1.3420 1.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 0.0593 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -2.1562 0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9428 1.4330 -0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8103 3.1981 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 2.0076 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -1.8872 -0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.6752 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4828 -3.5414 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 2.6130 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 -3.2652 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 1.9474 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -4.0929 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -0.0892 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.6840 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 2.0026 -0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 2.2156 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 1.5446 2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 0.5298 2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1579 0.3589 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 1.7224 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9173 1.9352 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 3.8355 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 3.4547 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 3.5528 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 2.5745 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 -1.3037 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 0.1679 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 -4.2073 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 3.5980 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -3.6868 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8021 2.4126 -0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -5.1638 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 13 2 0 0 0 0 7 10 1 0 0 0 0 7 14 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END > DB01069 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWWVAXIEGOYWEE-UHFFFAOYSA-N/SDF?record_type=3d > CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C > InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 > PWWVAXIEGOYWEE-UHFFFAOYSA-N > C17H20N2S > 284.419 > 284.13471934 > 2 > 40 > 0.9910969200452052 > 32.38497245611025 > 1 > 0 > 0 > 1 > dimethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine > 4.52 > 4.287570851666667 > -4.07 > 0 > 1 > 3 > 1 > 9.046575852890253 > 6.48 > 88.50490000000003 > 3 > 1 > 2.45e-02 g/l > tetrahydrofolic acid > 1 $$$$