Mrv0541 07091309112D 23 26 0 0 0 0 999 V2000 -1.0698 -3.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 0.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -0.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1781 1.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 -2.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 0.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 0.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 1.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7035 -2.9896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0289 -1.5111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 1.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6228 1.1121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 12 10 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 19 17 1 0 0 0 0 20 1 1 0 0 0 0 20 6 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 21 9 1 0 0 0 0 21 16 1 0 0 0 0 22 11 1 0 0 0 0 23 12 1 0 0 0 0 23 17 1 0 0 0 0 M END > DBMET00308 > drugbank > CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(CO)S2 > InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3 > FPDIERBPQFAFSI-UHFFFAOYSA-N > C17H20N4OS > 328.432 > 328.135781972 > 5 > 43 > 0.6119419584015681 > 36.08580983307208 > 1 > 2 > 0 > 1 > [8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3(7),5,8,10,12-hexaen-5-yl]methanol > 2.35 > 2.1077239253333326 > -3.36 > 0 > 1 > 4 > 1 > 15.199803218778102 > 14.387219852661122 > 7.196884928860132 > 51.10000000000001 > 95.4174 > 1 > 1 > 1.42e-01 g/l > tetrahydrofolic acid > 0 > DBMET00308 > 2-hydroxymethylolanzapine > SZB3TH928Y $$$$