9824345 -OEChem-05231302222D 55 59 0 0 0 0 0 0 0999 V2000 11.0608 0.2111 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 1.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1486 -1.4640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 0.1808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 1.7989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5853 -2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1458 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8800 -3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8260 -2.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8109 -3.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6769 -3.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6486 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6486 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0608 -1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6827 -1.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9630 -0.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1636 -1.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0483 -2.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2617 -3.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7876 -3.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4031 -2.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1752 -1.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8597 -3.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2952 -3.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4616 -4.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2326 -4.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 -0.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5409 0.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 -1.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 2.0679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 2.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6082 -1.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 0.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 26 1 0 0 0 0 3 25 2 0 0 0 0 4 24 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 19 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 2 0 0 0 0 7 27 1 0 0 0 0 8 27 2 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 29 2 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > 9824345 > 1 > 633 > 7 > 0 > 6 > AAADceB7sABAAAAAAAAAAAAAAAAAAWLEgAAwAAAABYAAAFgB8AAAHgQEAAAADADB2wQxEYcYEAitAiNyNgCDgIkkCLBpiDk4DNiILrKg3RGEMQhkxyOoiYedyICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 2-[2-[5-[5-(azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl]ethyl]isoindoline-1,3-dione > 2-[2-[5-[5-(1-azepanylmethyl)-2-thiophenyl]-1,2,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione > 2-[2-[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione > 2-[2-[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]isoindole-1,3-dione > 2-[2-[5-[5-(azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl]ethyl]isoindoline-1,3-quinone > InChI=1S/C23H24N4O3S/c28-22-17-7-3-4-8-18(17)23(29)27(22)14-11-20-24-21(30-25-20)19-10-9-16(31-19)15-26-12-5-1-2-6-13-26/h3-4,7-10H,1-2,5-6,11-15H2 > QUKKMGJVXHURCY-UHFFFAOYSA-N > 3.6 > 436.156912 > C23H24N4O3S > 436.52666 > C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCN4C(=O)C5=CC=CC=C5C4=O > C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCN4C(=O)C5=CC=CC=C5C4=O > 108 > 436.156912 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 1 16 8 1 18 8 16 17 8 17 20 8 18 20 8 2 26 8 2 8 8 22 23 8 22 29 8 23 28 8 28 30 8 29 31 8 30 31 8 7 26 8 7 27 8 8 27 8 $$$$