444706 -OEChem-10051720573D 48 49 0 0 0 0 0 0 0999 V2000 -0.6242 -0.2030 -1.7244 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 2.7737 -0.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -1.4934 0.9989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 2.9560 0.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1023 1.4509 -0.4379 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 0.7303 0.8184 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -1.1906 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -0.3785 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 -1.6482 -1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 -1.1618 1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 -2.4284 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9906 -1.6302 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7972 0.1120 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5434 -0.9134 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -2.3879 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -0.6062 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 1.8003 0.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 2.5142 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5729 -2.9547 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 -3.1235 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 3.7757 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7646 4.0068 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 -2.1080 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 0.5579 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8934 -0.1135 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -2.2850 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 -0.7829 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 -0.5349 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1163 -2.0309 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -3.3726 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 -2.6878 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 -2.2437 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6178 -0.7591 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -2.5856 -1.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 2.3060 -1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 3.4239 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 -3.1479 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 -2.3091 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 -3.9261 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 -2.5904 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -3.3141 1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6438 -4.1069 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 0.9590 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 4.7071 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 3.4496 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4666 4.7754 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 3.0817 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3277 4.3188 1.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > DB07184 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JKXLRLDPSLZEDD-UHFFFAOYSA-N/SDF?record_type=3d > CCOCN1C(=O)NC(=O)C(C(C)C)=C1SC1CCCCC1 > InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20) > JKXLRLDPSLZEDD-UHFFFAOYSA-N > C16H26N2O3S > 326.454 > 326.166413398 > 3 > 48 > -0.0013307929715247566 > 35.70743423890882 > 1 > 1 > 0 > 1 > 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione > 3.72 > 3.5436764383333323 > -3.38 > 0 > 0 > 2 > 0 > 9.875311156444845 > -3.994612664681694 > 58.64 > 98.14339999999999 > 6 > 1 > 1.37e-01 g/l > tetrahydrofolic acid > 0 $$$$