66580799 -OEChem-09112312203D 64 69 0 0 0 0 0 0 0999 V2000 -2.8718 2.8733 -0.0582 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 5.3131 -0.4256 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 2.6057 -1.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4135 4.0364 0.6184 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4463 -2.4265 -1.8811 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3148 0.0828 -0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 -2.0024 2.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -0.6838 0.5574 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4626 -2.2353 0.1104 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3186 -1.6767 0.7783 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8651 -1.3640 -0.1272 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 0.3626 0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 0.5625 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 1.4389 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 1.8343 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 2.9801 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4795 -1.0326 0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 -1.7979 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8652 -1.0741 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8668 -2.2578 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0603 1.9648 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6829 -3.0068 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1167 -2.0569 -1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 4.2259 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1629 -2.0418 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 -0.1450 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4726 -1.8460 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8249 -2.4589 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 -1.5595 -2.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -1.7134 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -0.8206 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1905 -1.0861 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0647 0.7660 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 3.2097 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 4.3358 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9549 -2.0992 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -1.2065 -1.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 1.1224 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 1.7590 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 -3.2754 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 -2.3651 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 1.1684 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9551 -3.0068 1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4576 -4.0388 0.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 -3.0442 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2759 -1.3737 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -2.9181 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5094 -2.3821 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 -0.3984 -1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0672 0.4110 -0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7043 -3.1036 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1118 -1.4503 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6015 -0.5405 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -1.5452 -3.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2647 -1.9138 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 -0.3335 -1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1716 -1.5701 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 -0.7951 1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 1.1206 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.6458 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7419 3.3051 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5577 -2.5952 1.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.0040 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 5.2996 -0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 17 2 0 0 0 0 11 20 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 19 30 2 0 0 0 0 19 31 1 0 0 0 0 20 27 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 34 2 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 29 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 35 2 0 0 0 0 25 32 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 33 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 36 2 0 0 0 0 27 37 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 36 1 0 0 0 0 30 55 1 0 0 0 0 31 37 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 35 64 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 M END > DB18088 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NFHSJYKXENYICE-UHFFFAOYSA-N/SDF?record_type=3d > FC1=CC=CC2=C1S(=O)(=O)CC1=C2N(N=C1C(=O)N1CCOCC1)C1=CC=C(CN2CCOCC2)C=C1 > InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2 > NFHSJYKXENYICE-UHFFFAOYSA-N > C26H27FN4O5S > 526.58 > 526.168619322 > 7 > 64 > 1.9636547279456007 > 54.09280570380659 > 1 > 0 > 0 > 0 > 6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione > 1.7009564206666665 > 0 > 0 > 6 > 0 > 12.802164032371639 > 6.976453829614475 > 93.97 > 137.3165 > 4 > 0 > 6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-3-(morpholine-4-carbonyl)-4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione > 0 $$$$