135565465 -OEChem-05201911083D 53 57 0 0 0 0 0 0 0999 V2000 -6.6625 2.8089 0.9045 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 0.4188 1.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 0.5061 -0.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -3.9287 0.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 0.6668 0.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 -3.1549 0.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9891 -1.2483 0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 0.2236 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 -0.3602 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0594 0.9918 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 0.3949 -0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 -0.0428 -1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 1.4394 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 0.1201 2.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 0.0806 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -0.9966 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.8859 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 1.2692 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 0.3096 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0318 1.3848 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7653 -1.9937 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7139 -0.5242 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1985 -1.7215 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1387 -0.2062 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 1.0995 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8793 1.3139 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7966 0.2617 0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3079 -1.0245 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1345 0.7228 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 2.0749 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 -0.8117 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0998 0.8445 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0448 1.8013 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 0.1146 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1461 -1.2956 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7277 -0.5740 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1874 1.4450 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 -0.1928 0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 0.5546 -2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 -1.0808 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 -0.6673 3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 2.3693 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9236 1.6233 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1588 1.0048 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 -1.9192 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 2.1122 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 2.3142 -1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8476 -2.4631 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 1.9175 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 -1.8928 0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0091 0.0840 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0821 2.6648 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -4.7622 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 30 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 21 2 0 0 0 0 7 24 2 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 41 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END > DB15292 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZTEDNASHAWNBKQ-NCELDCMTSA-N/SDF?record_type=3d > O\N=C1/C=C(OC2=C1C=C(CCCN1CCOCC1)C=C2)C1=CC2=C(C=CS2)C=N1 > InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+ > ZTEDNASHAWNBKQ-NCELDCMTSA-N > C23H23N3O3S > 421.52 > 421.146012787 > 6 > 53 > 46.898432724711 > 1 > 1 > 0 > 1 > N-[(4E)-6-[3-(morpholin-4-yl)propyl]-2-{thieno[3,2-c]pyridin-6-yl}-4H-chromen-4-ylidene]hydroxylamine > 3.93 > 2.0078212982454238 > -4.83 > 0 > 5 > 0 > 5.231929318590269 > 7.4689071704621 > 67.18 > 118.57730000000001 > 5 > 1 > 6.21e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$