3410 -OEChem-10051719273D 49 50 0 1 0 0 0 0 0999 V2000 -2.8151 3.3368 0.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 -3.3889 0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 -2.8257 1.6873 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 -0.8373 -2.9284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5285 2.3873 -0.3861 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 -2.0869 -0.9507 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 2.9144 -0.1591 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9019 2.0496 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 3.1363 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 2.5902 0.1485 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9033 4.3769 -0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 0.5942 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9713 1.1369 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3713 0.2002 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0464 -0.2830 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 0.1629 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 0.7753 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -1.1396 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 -0.5646 2.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 -1.6276 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 -1.1819 0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -1.5220 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8363 -2.0772 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -1.8761 -2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.2501 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 2.8621 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 2.1277 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 2.4508 -0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 3.1300 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4941 4.1912 0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 2.4313 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 2.7207 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 4.7281 -0.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 4.5160 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 5.0432 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 0.5581 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 0.0545 -2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 0.8531 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 1.5075 2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 2.8872 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -0.8554 3.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -2.2682 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -1.5260 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -3.0488 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -3.4078 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 -2.8369 -2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -3.9630 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 -5.2548 0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 -4.3119 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 40 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 45 1 0 0 0 0 4 24 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END > DB00983 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPZSYCZIITTYBL-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1 > InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) > BPZSYCZIITTYBL-UHFFFAOYSA-N > C19H24N2O4 > 344.4049 > 344.173607266 > 5 > 49 > 0.9743559197760282 > 36.559174583250524 > 1 > 4 > 0 > 1 > N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide > 1.91 > 1.0566727363571802 > -3.92 > 0 > 1 > 2 > 1 > 14.208372164637407 > 8.607353493587993 > 9.811207541594007 > 90.82 > 97.87150000000003 > 8 > 1 > 4.16e-02 g/l > biotin > 0 $$$$