115358 -OEChem-01051815273D 61 63 0 1 0 0 0 0 0999 V2000 -4.9294 2.2038 2.6736 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7799 0.4632 3.2674 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 2.2040 2.4475 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -1.2852 -1.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 1.1060 -2.4382 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -3.8351 1.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0584 0.5121 -0.7883 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3588 -1.9320 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 2.9326 3.0111 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 1.7835 -1.3312 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7658 2.2582 -0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 2.3854 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 0.0223 -0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 1.6179 -2.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -1.2108 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 -1.6672 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 2.7968 1.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8366 0.7965 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -0.8886 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 -2.9085 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 0.3408 -1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 -3.6538 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -3.1248 0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 -3.5184 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -0.4731 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 0.0467 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9024 2.3506 -2.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2449 -0.1740 -1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 0.8653 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2481 0.6448 -1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 1.1645 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -3.2444 1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 1.4209 2.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 2.5713 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 3.2262 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5818 1.5513 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 -0.1047 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 3.1273 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 1.4333 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8366 1.3037 -3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 2.5631 -3.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 0.8677 -3.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6684 2.0496 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2391 3.7532 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1265 1.7533 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -4.6179 1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 -4.5192 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -3.6596 -1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3313 -2.9272 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 2.0399 3.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 3.1568 3.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.1886 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7505 2.8212 -3.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 2.2096 -3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 3.0346 -2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3436 -0.5759 -2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1228 0.8777 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9191 1.8003 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 -3.9263 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 -2.2932 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 -3.1088 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 37 1 0 0 0 0 8 15 1 0 0 0 0 8 23 2 0 0 0 0 9 17 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > DB06608 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LBHLFPGPEGDCJG-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(C)=C2C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C(NC(C)CCCN)C2=N1 > InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3 > LBHLFPGPEGDCJG-UHFFFAOYSA-N > C24H28F3N3O3 > 463.501 > 463.208276263 > 5 > 61 > 47.37534825002687 > 1 > 2 > 0 > 1 > N4-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine > 5.07 > 4.971264277333335 > -5.53 > 1 > 3 > 1 > 17.142099963043705 > 10.203764652026173 > 78.63000000000001 > 122.54730000000004 > 10 > 1 > 1.37e-03 g/l > tafenoquine > 0 $$$$