11505541 -OEChem-10051721013D 48 52 0 0 0 0 0 0 0999 V2000 -0.0044 -0.4259 -1.2113 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 -0.4408 0.3817 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -0.4221 0.3645 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 1.6492 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 1.6560 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 2.7499 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.6909 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6924 3.5349 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 3.9328 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.6156 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 0.6511 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -1.8963 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 0.3337 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 0.3960 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -1.7936 1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3601 -3.1680 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 0.8475 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 0.9730 -1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2346 -2.9162 2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 -4.2906 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7499 0.5510 -1.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 0.6951 -1.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6222 -0.7079 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.6691 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 -4.1646 1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3811 -0.2409 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -0.1407 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 3.4484 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4009 2.3512 1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8109 2.2279 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 3.0079 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 4.4310 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 2.9308 2.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 4.5489 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 4.5438 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 -0.8456 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5966 -3.2923 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9012 1.4663 -2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 1.6262 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -2.8181 3.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -5.2627 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3105 0.9364 -2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 1.1293 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -1.3295 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9657 -1.3269 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 -5.0384 2.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4337 -0.4848 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4012 -0.3711 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 23 2 0 0 0 0 3 14 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 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 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 25 2 0 0 0 0 19 40 1 0 0 0 0 20 25 1 0 0 0 0 20 41 1 0 0 0 0 21 26 2 0 0 0 0 21 42 1 0 0 0 0 22 27 2 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > DB07393 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GSKNNHAAFLPYHG-UHFFFAOYSA-N/SDF?record_type=3d > C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1 > InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2 > GSKNNHAAFLPYHG-UHFFFAOYSA-N > C24H21N2P > 368.4107 > 368.144235194 > 2 > 48 > 0.0014935758904025308 > 40.48086208050127 > 1 > 0 > 0 > 1 > 2-[2-phenyl-3-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-isophosphindol-1-yl]pyridine > 5.35 > 5.1564 > -4.90 > 0 > 0 > 5 > 0 > 4.080176103995188 > 25.78 > 110.34730000000002 > 3 > 0 > 4.64e-03 g/l > biotin > 1 $$$$