1978 -OEChem-12141901203D 52 52 0 1 0 0 0 0 0999 V2000 1.9616 1.3889 0.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 1.8639 1.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 2.1441 -1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -0.2762 1.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 -1.6582 0.6982 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3247 0.1202 -0.4812 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 0.5919 1.7010 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3435 -0.3432 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0283 -2.5088 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 0.7940 1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 -2.1652 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -3.9725 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6705 1.0808 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 1.0561 -0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9801 0.4439 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0863 0.7376 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 0.7869 1.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 0.4685 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 -0.4807 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 -0.8383 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1561 1.3602 -2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3416 -0.1971 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0929 -1.1146 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 0.7180 -3.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 0.2072 2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4363 -0.4305 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 0.1336 -0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0688 -2.3762 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -2.0820 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 1.4883 2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 -0.1731 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -2.2358 -1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2777 -1.1569 -1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -2.8585 -2.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -4.1960 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -4.2311 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 -4.6316 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 2.2341 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 0.7276 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 0.8278 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 0.2626 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4575 -1.3044 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8945 0.4086 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 0.1279 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9895 -0.0206 1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5565 -1.7213 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3964 -0.2367 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9054 -1.3664 0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9590 -1.9532 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 1.3409 -3.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 -0.2910 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 0.6290 -3.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 38 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > DB01193 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GOEMGAFJFRBGGG-UHFFFAOYSA-N/SDF?record_type=3d > CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O > InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) > GOEMGAFJFRBGGG-UHFFFAOYSA-N > C18H28N2O4 > 336.4259 > 336.204907394 > 5 > 52 > 38.50610129645466 > 1 > 3 > 0 > 1 > N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide > 1.43 > 1.5346815706666663 > -3.29 > 0 > 1 > 1 > 14.561138726797223 > 13.912120758640262 > 9.65188609947632 > 87.66 > 94.8692 > 10 > 1 > 1.72e-01 g/l > acebutolol > 0 $$$$