13986 -OEChem-03032023033D 66 67 0 0 0 0 0 0 0999 V2000 -2.7973 -1.1597 -1.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 0.6817 -0.2572 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 -1.0827 -1.8723 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5195 1.5090 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 1.0190 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 2.7958 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 0.2224 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7557 -0.3269 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -0.5925 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7359 -1.5112 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 3.7184 0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 0.5769 0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 -1.7157 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8311 0.7492 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 -0.4446 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 -0.9955 -1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1593 0.3634 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 0.1143 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.0086 -0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 -0.0867 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0856 1.5553 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -2.2313 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9148 5.0189 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7539 -0.1841 1.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -2.6342 0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 -3.1401 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 -3.3412 1.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 1.1306 1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 1.7622 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 0.9684 1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 2.0883 -0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 0.8791 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 3.3391 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 2.5648 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4099 -0.8510 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 0.4001 1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8569 3.9463 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 3.2109 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4619 0.3452 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1384 1.6531 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0367 1.2644 -1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3108 1.4683 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7158 -0.9841 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 -1.1637 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6743 -0.3699 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9502 -0.1351 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9859 0.8201 -2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0865 0.6914 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 0.4968 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 0.4645 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5678 2.3104 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3462 2.0244 -0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5885 -2.1043 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3106 4.8281 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 5.6619 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 5.5654 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 -1.2650 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 0.0811 1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3502 0.0551 2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -2.8147 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -0.8568 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 -3.6906 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -4.0486 2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9134 0.3942 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1287 0.6894 2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0071 1.9961 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 3 61 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 13 1 0 0 0 0 10 22 2 0 0 0 0 11 23 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 24 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 25 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 21 28 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 M END > DB11501 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FGGFIMIICGZCCJ-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCOC1=C2C=CC=CC2=C(C=C1)C(=N)N(CCCC)CCCC > InChI=1S/C25H38N2O/c1-4-7-10-13-20-28-24-17-16-23(21-14-11-12-15-22(21)24)25(26)27(18-8-5-2)19-9-6-3/h11-12,14-17,26H,4-10,13,18-20H2,1-3H3 > FGGFIMIICGZCCJ-UHFFFAOYSA-N > C25H38N2O > 382.592 > 382.298413852 > 3 > 66 > 0.9999562708432098 > 48.761038987004554 > 0 > 1 > 0 > 0 > N,N-dibutyl-4-(hexyloxy)naphthalene-1-carboximidamide > 7.04 > 7.125939620000001 > -6.62 > 0 > 1 > 2 > 1 > 11.359197462121625 > 36.32000000000001 > 131.536 > 13 > 0 > 9.22e-05 g/l > 4,4'-dihydroxy-10,10'-dioxo-5,5'-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9H,9'H-[9,9'-bianthracene]-2,2'-dicarboxylic acid > 0 $$$$