62065 -OEChem-10051719363D 31 31 0 1 0 0 0 0 0999 V2000 3.7301 -1.4658 0.5959 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3642 -1.9615 -0.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 1.5006 0.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 1.7808 -0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 0.8297 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6726 1.2056 0.4246 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4743 0.2632 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3142 -1.1025 -0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 0.0034 1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 1.1351 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8564 0.6287 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9463 -1.6089 0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 -0.7432 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -3.3474 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6115 2.8824 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6927 1.7166 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3784 0.1187 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 1.9592 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 -0.3876 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -0.8043 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 0.2906 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 2.1891 -0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 2.6154 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 2.0861 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1391 -2.6657 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3979 -3.7378 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 -3.8813 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -3.5503 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 3.2681 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 3.0807 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 3.4272 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 12 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 14 26 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 15 31 1 0 0 0 0 M END > DB01484 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FXMWUTGUCAKGQL-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(Br)=C(OC)C=C1CC(C)N > InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 > FXMWUTGUCAKGQL-UHFFFAOYSA-N > C11H16BrNO2 > 274.154 > 273.036441408 > 3 > 31 > 0.9987548354068824 > 25.282172027734532 > 1 > 1 > 0 > 1 > 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine > 2.53 > 2.257660575666666 > -3.46 > 0 > 1 > 1 > 1 > 9.90423213112654 > 44.480000000000004 > 64.2544 > 4 > 1 > 9.48e-02 g/l > biotin > 0 $$$$