4842 -OEChem-10051719103D 32 32 0 0 0 0 0 0 0999 V2000 6.4111 -1.1883 -0.1109 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.4089 1.1908 0.1283 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 1.9221 -0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 -1.9128 0.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 0.3682 0.3162 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 -0.3673 -0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2736 1.3797 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 -1.0029 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8763 1.0036 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2724 -1.3788 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 0.7541 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 -0.7528 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6828 -0.3490 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6915 0.3404 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 0.2192 -0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0699 -0.2264 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 2.3663 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 1.4326 1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 -1.0260 1.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 -1.7339 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 1.7348 -0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5413 1.0262 -1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0791 -1.4305 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 -2.3658 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4283 -1.0526 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 -0.8816 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6542 0.8265 -1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 1.0837 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 0.9376 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 0.6968 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1460 -0.7290 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3763 -0.9226 -0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > DB00236 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NJBFOOCLYDNZJN-UHFFFAOYSA-N/SDF?record_type=3d > BrCCC(=O)N1CCN(CC1)C(=O)CCBr > InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2 > NJBFOOCLYDNZJN-UHFFFAOYSA-N > C10H16Br2N2O2 > 356.054 > 353.95785306 > 2 > 32 > 6.803198355509219e-09 > 28.439271640934393 > 1 > 0 > 0 > 1 > 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one > 1.09 > 0.4107813379999997 > -2.20 > 0 > 0 > 1 > 0 > -1.2556815410743145 > 40.620000000000005 > 69.45280000000001 > 4 > 1 > 2.24e+00 g/l > biotin > 0 $$$$