2249 -OEChem-10051719123D 41 41 0 1 0 0 0 0 0999 V2000 -1.0828 -1.5377 -0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5748 -2.7555 -0.5623 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.8556 -0.5231 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5767 0.7576 0.6077 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2519 0.9135 0.2042 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7964 -0.3845 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -1.7002 0.3793 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9474 2.0011 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -1.7113 0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7518 3.1671 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 2.1930 -1.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 -0.8953 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 0.4089 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6505 -0.1462 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 -0.9980 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 0.5077 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 -0.3440 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 1.1086 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 0.2706 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 -0.3029 -1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8576 -0.4583 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.9104 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0104 1.9760 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1169 0.6419 1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7286 -0.9297 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 -2.6871 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 3.0392 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0507 4.1116 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 3.2618 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 3.2197 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 2.0241 -1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 1.5435 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 -2.7640 -0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1269 -0.0661 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -1.5997 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2838 1.0899 -1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5231 -0.4356 2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 1.4167 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 2.0325 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 0.4673 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2941 1.8464 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END > DB00335 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/METKIMKYRPQLGS-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 > InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) > METKIMKYRPQLGS-UHFFFAOYSA-N > C14H22N2O3 > 266.3361 > 266.16304258 > 4 > 41 > 0.9978476410372235 > 29.98303657467303 > 1 > 3 > 0 > 1 > 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide > 0.57 > 0.4250248483333329 > -2.79 > 0 > 1 > 1 > 1 > 15.950096479624762 > 14.078504032517476 > 9.666166243081456 > 84.58 > 73.5053 > 8 > 1 > 4.29e-01 g/l > tetrahydrofolic acid > 0 $$$$