11441375 -OEChem-10051720593D 53 57 0 0 0 0 0 0 0999 V2000 5.8041 1.4178 0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 0.3194 -1.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -2.7153 -0.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7395 -1.0396 0.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8926 -0.8835 -0.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 2.7012 0.1212 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1389 -0.9156 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1757 -0.7035 -2.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 -2.0575 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 0.3005 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 0.1767 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 0.2147 0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 0.0159 2.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5885 0.0878 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 0.3758 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.1088 3.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 -0.0733 2.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 0.1258 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 0.2864 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 0.4112 -1.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 0.5228 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8939 1.0939 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 1.3803 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 -0.8514 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5775 -1.3815 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 2.4435 -0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 0.8234 0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 -0.5427 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6636 3.2021 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4444 -3.5560 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7920 -1.0706 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9591 -0.5055 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2394 -0.5760 -2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0027 -0.1360 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4990 -2.4014 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 -2.8374 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 -1.7704 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0175 -0.0134 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 0.4777 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 -0.2338 4.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.1726 3.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5597 0.0077 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4601 0.5368 -2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6143 -1.5195 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 1.4658 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 2.9097 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 4.2718 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9941 -3.2767 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6996 -4.5869 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -3.4970 0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5164 -1.6989 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -1.4973 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0304 -0.0580 -0.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 37 1 0 0 0 0 6 23 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 20 2 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END > DB07274 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZATGFXTWDKIEKC-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1 > InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28) > ZATGFXTWDKIEKC-UHFFFAOYSA-N > C25H22N2O4 > 414.4532 > 414.157957202 > 4 > 53 > 0.07242502946386625 > 44.58288043407357 > 1 > 1 > 0 > 1 > N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide > 4.66 > 3.845202776333334 > -5.36 > 1 > 0 > 5 > 0 > 15.503039609862617 > 5.892539670373646 > 69.68 > 116.783 > 6 > 1 > 1.80e-03 g/l > biotin > 0 $$$$