2441 -OEChem-08052608003D 29 31 0 0 0 0 0 0 0999 V2000 -0.7568 -4.4569 0.8210 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 3.4938 -0.5796 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4198 1.2084 -0.7199 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 1.9496 0.7942 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -0.5016 -0.8898 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -0.3230 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9442 -0.0739 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 0.7435 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.6349 0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 2.3181 1.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 0.4233 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 -1.1564 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 2.4062 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 -2.6952 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4219 -2.4584 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7682 1.0623 0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 0.7246 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -0.8040 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 -0.2254 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1476 1.2475 -1.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -1.8363 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2628 3.3060 1.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 1.6324 1.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7236 -0.9918 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -3.2741 -0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5927 1.7965 1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 1.1991 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -1.5510 -1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -0.5046 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 18 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 16 2 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > 2441 > 0.6 > 1 2 3 4 > 27 1 -0.11 10 0.31 11 0.4 12 -0.15 13 0.57 14 0.11 15 -0.15 16 -0.15 17 -0.15 18 0.16 19 -0.15 2 -0.57 20 0.37 21 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.55 4 -0.7 5 -0.62 6 0.09 7 0.12 8 0.28 9 -0.15 > 1.4 > 8 1 1 hydrophobe 1 2 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 6 5 11 16 17 18 19 rings 6 6 7 9 12 14 15 rings 7 3 4 6 7 8 10 13 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0000098900000001 > 72.7885 > 40.607 > 11578080 2 15729740516760906684 11582403 64 16475923842649835008 116883 192 18340769367795902357 12173636 292 18336261237025644173 12500047 106 18337955580686948188 12532896 13 18267589013466976313 12553582 1 17978242869347374310 12592029 89 17977110054701116313 12730499 353 17833276324850200873 12788726 201 18411130368131740035 13140716 1 18051415363811938706 13294875 104 17837193892989145048 14022347 108 18190459544315832123 14115302 16 18043248139838102303 14790565 3 18410580578697208857 15415430 2 18411417353604342691 16752209 62 18336814329997316451 167882 2 17470163661447338029 16945 1 18335419109818313699 17134986 127 17976255738166227117 17357779 13 18200016490767847485 18785283 64 17040366709565863625 19049666 15 18272091574129018606 19591789 44 18268155249529295651 20510252 161 18412825797945003569 20645476 183 18187933815629792780 20645477 70 16463879087973553039 21285901 2 18201723993782068903 21452121 199 17613996713174124118 21665056 4 18336834078367894906 23402539 116 18340192094089515399 23419403 2 17202465861911955969 23557571 272 18269843171702951868 23559900 14 18129380394299514950 2748010 2 17693081277324464177 3084891 72 18337662105303093683 314173 41 17831581250859346450 46194498 28 16683957249742846031 7364860 26 17401483745654932441 81228 2 18340217387204695113 8809292 202 18342178886131724398 9709674 26 18272373083676373454 > 376.14 5.77 4.38 1.04 6.8 0.73 0 1.6 1.2 -4.85 -0.86 0.17 0.05 0.97 > 813.883 > 208.8 > 2 5 10 $$$$

Bromazepam

Chemistry

Also known as