448668 -OEChem-04232016133D 40 42 0 1 0 0 0 0 0999 V2000 2.4054 -5.1263 0.3422 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 3.2369 0.1827 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 1.9454 1.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 0.2259 -0.4026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5558 0.3352 -0.3342 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 0.6374 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 0.8928 0.6703 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1839 -1.0787 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8409 1.0873 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -1.0580 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 0.3112 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 1.3256 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -2.2646 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 2.4838 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -2.2845 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 0.9626 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 -3.4665 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 3.1059 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 -3.4787 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 2.3584 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9226 0.7987 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 -0.9498 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 1.5422 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0746 -0.1348 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 0.0206 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2854 1.5380 1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 2.2814 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 -2.2713 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 3.0804 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 -2.2921 0.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1211 0.3777 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 -4.3967 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 4.1907 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 2.7647 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9134 1.7431 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 0.9500 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4674 0.0774 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2172 -1.6623 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9619 -0.8573 1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -1.4218 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 34 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > DB01731 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUBJEDZHBUPBKL-ZDUSSCGKSA-N/SDF?record_type=3d > CN(C)C[C@H](O)CN1C2=CC=C(Br)C=C2C2=C1C=CC(Br)=C2 > InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 > XUBJEDZHBUPBKL-ZDUSSCGKSA-N > C17H18Br2N2O > 426.146 > 423.978588502 > 2 > 40 > 0.9919920844705664 > 38.44292507398307 > 1 > 1 > 0 > 1 > (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol > 4.17 > 4.240376586 > -4.42 > 0 > 1 > 3 > 1 > 14.411828868671597 > 9.092990840443393 > 28.4 > 97.5961 > 4 > 1 > 1.62e-02 g/l > (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one > 1 $$$$