107805 -OEChem-10051722363D 41 43 0 0 0 0 0 0 0999 V2000 1.0925 1.1220 -0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 1.0461 -0.1994 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -0.2652 0.4542 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 0.6444 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0452 -0.6522 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -1.6881 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 -0.9990 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 0.0870 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 0.6601 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7284 0.0113 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3448 -1.3333 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 0.9806 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 0.0323 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5784 -3.0312 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 -2.3327 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -3.3513 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 0.3964 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 2.3211 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 0.5163 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.3849 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 1.7433 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4311 2.7073 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 -0.8667 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 -0.1376 -1.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 1.6173 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 0.8221 1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1059 -2.1110 0.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6852 -1.1307 0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3093 -3.8354 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7632 -2.6211 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 -4.3899 0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8681 -0.3516 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 3.0953 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 1.2607 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5436 -0.3946 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 0.2878 -1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 1.9865 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5951 2.0151 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5273 0.4967 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4735 2.0378 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 3.7612 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 27 1 0 0 0 0 12 18 2 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END > DB11880 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XBGNERSKEKDZDS-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCNC(=O)C1=C2N=C3C=CC=CC3=CC2=CC=C1 > InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22) > XBGNERSKEKDZDS-UHFFFAOYSA-N > C18H19N3O > 293.37 > 293.152812244 > 3 > 41 > 33.50944284006292 > 1 > 1 > 0 > 1 > N-[2-(dimethylamino)ethyl]acridine-4-carboxamide > 2.75 > 2.599188436 > -3.89 > 0 > 3 > 1 > 14.762324220882597 > 8.508509832831523 > 45.230000000000004 > 88.05170000000001 > 4 > 1 > 3.76e-02 g/l > N-[2-(dimethylamino)ethyl]acridine-4-carboxamide > 0 $$$$