2719 -OEChem-03042012043D 48 49 0 1 0 0 0 0 0999 V2000 5.6865 1.6202 1.4891 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 1.1166 0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 -1.8990 0.2448 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 0.6111 -2.1920 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3561 -1.5882 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6376 -1.0080 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 -2.5616 -0.2376 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7816 0.0041 1.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -3.7668 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2352 1.7991 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 2.0603 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -1.0680 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 -0.4264 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8274 2.9196 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8132 1.3723 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 -0.8402 -1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 0.4068 -0.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3891 -0.6173 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.0082 -2.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 1.0249 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 0.0133 1.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2681 0.8352 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.7804 -0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2508 -2.1112 -0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 -0.6068 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9717 -1.8198 1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0261 -2.9675 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6593 -0.5438 0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 0.3494 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 -1.9839 1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 -4.5083 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -4.2531 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 -3.5055 1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 2.1950 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 1.1280 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7567 2.5538 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3335 2.8414 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8115 2.5869 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 3.7965 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 3.2570 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6178 0.7465 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2926 0.7651 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5486 2.1285 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 -1.2833 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8545 -1.2511 1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 0.1916 -3.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 1.6716 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 -0.1462 2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 17 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 M END > DB00608 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WHTVZRBIWZFKQO-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12 > InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) > WHTVZRBIWZFKQO-UHFFFAOYSA-N > C18H26ClN3 > 319.872 > 319.181525554 > 3 > 48 > 1.6580820943559722 > 37.287903416928586 > 1 > 1 > 0 > 1 > 7-chloro-N-[5-(diethylamino)pentan-2-yl]quinolin-4-amine > 5.28 > 3.933881141333334 > -4.26 > 0 > 2 > 2 > 2 > 10.324447273782475 > 28.16 > 96.42300000000002 > 8 > 1 > 1.75e-02 g/l > 6-bromo-4-[(dimethylamino)methyl]-3-(ethoxycarbonyl)-2-[(phenylsulfanyl)methyl]-1H-indol-5-yl sulfate > 1 $$$$