445896 -OEChem-10051720343D 32 32 0 1 0 0 0 0 0999 V2000 5.0272 1.8728 -0.3296 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 -0.9221 0.3779 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0414 1.3688 -1.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 -2.6894 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0183 0.4929 1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 -0.1776 -0.3939 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7459 0.3048 0.8441 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 -0.2717 0.1369 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3553 0.0816 -0.9686 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7872 0.1409 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 -1.6575 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7421 -0.6487 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 0.9839 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 0.2024 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0634 -0.5939 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 1.0386 1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4101 0.2497 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 0.2245 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 0.4704 0.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -0.6316 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 -1.7300 1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -1.8484 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -0.4736 -1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -1.3101 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 1.6153 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3399 -1.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -1.2138 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 1.7020 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 -3.5329 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.0613 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9979 0.9171 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4531 -0.2661 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 11 1 0 0 0 0 4 29 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 17 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB04411 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BFLNGKUCFYKCFZ-RKDXNWHRSA-N/SDF?record_type=3d > [H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(N)C=C1 > InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1 > BFLNGKUCFYKCFZ-RKDXNWHRSA-N > C11H14Cl2N2O3 > 293.146 > 292.038147738 > 4 > 32 > -0.0037253280677559688 > 27.078022850238476 > 1 > 4 > 0 > 1 > N-[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide > 0.46 > 0.10979334466666682 > -1.77 > 0 > 0 > 1 > 0 > 13.847241039199446 > 9.334411351092278 > 3.9466496600605963 > 95.58 > 70.57640000000002 > 5 > 1 > 4.97e+00 g/l > biotin > 0 $$$$