237 -OEChem-10051719293D 58 60 0 1 0 0 0 0 0999 V2000 2.5484 5.8098 0.4442 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2768 -4.5023 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -0.4495 0.3391 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.2074 -0.3382 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 0.8453 0.3734 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1155 0.2327 -1.4883 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6274 0.1250 -1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 1.0099 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 0.9268 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9546 0.1493 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 -0.6188 -2.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4788 -0.5359 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 -0.9709 1.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -0.8507 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 1.4977 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 -0.4520 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 1.8046 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2008 0.0006 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -2.4255 1.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -2.2135 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 2.5235 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -1.4431 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 3.1452 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -3.1847 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9053 -2.7983 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 3.8559 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 4.1671 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 -5.4408 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 1.2602 -1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 0.4127 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -0.9255 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 2.0536 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.8185 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 1.5995 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 1.3084 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -1.0654 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -0.4984 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -0.3328 -3.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 -1.6839 -2.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -0.0014 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7945 -1.5799 0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 -0.3758 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 -0.9801 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1821 1.0936 -0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7887 -0.4096 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 -0.2892 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7252 -2.5428 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -3.0262 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 -2.8545 2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 -2.5545 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 2.3517 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -1.1645 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 3.3995 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 -3.4938 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 4.6358 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 -6.4398 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -5.3149 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -5.4040 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 36 1 0 0 0 0 5 16 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 19 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 24 2 0 0 0 0 20 50 1 0 0 0 0 21 26 2 0 0 0 0 21 51 1 0 0 0 0 22 25 2 0 0 0 0 22 52 1 0 0 0 0 23 27 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 M END > DB01103 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GPKJTRJOBQGKQK-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2 > InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) > GPKJTRJOBQGKQK-UHFFFAOYSA-N > C23H30ClN3O > 399.957 > 399.207740304 > 4 > 58 > 1.9585140127718212 > 46.3240008430047 > 1 > 1 > 0 > 1 > 6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine > 6.13 > 5.151536958 > -5.22 > 1 > 2 > 3 > 2 > 10.328892233193985 > 37.39 > 118.96440000000004 > 9 > 0 > 2.39e-03 g/l > tetrahydrofolic acid > 1 $$$$