15942673 -OEChem-10051721163D 42 44 0 1 0 0 0 0 0999 V2000 -2.1900 -3.6421 1.7436 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.4490 -1.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 1.1773 -1.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -1.2859 1.5536 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 -2.6273 -0.3695 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4936 -0.0970 0.9556 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2995 -0.4607 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1826 -1.6559 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 0.8836 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 -2.4832 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 0.6055 -0.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9857 -2.0347 -2.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5472 0.5676 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6162 2.1092 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 -3.8408 -1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 0.6474 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 1.4824 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 3.0241 1.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5995 2.7107 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -0.3110 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 1.6438 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 -0.2714 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 1.6835 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 0.7259 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1796 0.3055 1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4508 -1.1929 2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5274 -2.9722 -1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -1.2872 -2.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3359 -2.1392 -2.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -0.3832 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.3677 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1542 -3.5688 -2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8236 -4.4020 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 -4.4910 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 3.9806 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3824 3.4322 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 -1.1045 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 2.3983 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 -1.0165 1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4264 2.4599 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 0.7569 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 1.9230 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 17 1 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > DB08198 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JGBBILLMZPWNFU-QGZVFWFLSA-N/SDF?record_type=3d > [H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1 > InChI=1S/C19H18N2O2S/c1-12-16(18(23)13-7-4-3-5-8-13)17(20-19(24)21(12)2)14-9-6-10-15(22)11-14/h3-11,17,22H,1-2H3,(H,20,24)/t17-/m1/s1 > JGBBILLMZPWNFU-QGZVFWFLSA-N > C19H18N2O2S > 338.423 > 338.10889852 > 2 > 42 > -0.004079683000447535 > 35.550497545731396 > 1 > 2 > 0 > 1 > (4R)-5-benzoyl-4-(3-hydroxyphenyl)-1,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione > 3.23 > 3.068486388333333 > -4.36 > 0 > 0 > 3 > 0 > 12.222326470795206 > 9.388240192519987 > -5.968934303054835 > 52.57 > 100.60180000000003 > 3 > 1 > 1.49e-02 g/l > tetrahydrofolic acid > 0 $$$$