831616 -OEChem-10051721053D 42 43 0 1 0 0 0 0 0999 V2000 4.1060 2.1550 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -3.4544 0.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 -1.5430 0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -0.0223 -0.1894 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -1.4330 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 0.1446 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 0.5581 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -2.0673 0.8183 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4805 1.6227 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 2.0262 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 -1.4280 1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.5653 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -0.2059 -1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 0.0641 1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 1.0623 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 0.7924 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7901 1.4264 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8004 -0.8731 -2.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 1.7405 2.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3126 -1.5434 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.0058 -0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -0.4216 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6785 -0.1822 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 0.4888 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 0.0140 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -2.0613 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 2.2069 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 1.7437 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 2.4434 -1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 2.6242 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 -0.3853 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -1.9726 2.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4642 -3.5145 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -0.2163 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 1.0889 -2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 2.2039 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 -0.5511 -3.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7411 -0.6327 -2.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 -1.9595 -2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0165 1.0199 2.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 2.5084 2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 2.2180 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 33 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > DB07573 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HVMGGHDPXHODHE-AWEZNQCLSA-N/SDF?record_type=3d > [H][C@@](O)(COC1=C(C)C=CC(C)=C1)CN1CCOCC1 > InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1 > HVMGGHDPXHODHE-AWEZNQCLSA-N > C15H23NO3 > 265.348 > 265.167793607 > 4 > 42 > 0.314621260737556 > 30.465317106170403 > 1 > 1 > 0 > 1 > (2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)propan-2-ol > 1.30 > 2.012226457666667 > -1.59 > 0 > 0 > 2 > 0 > 14.078782473750994 > 6.661857196133445 > 41.93000000000001 > 75.65970000000002 > 5 > 1 > 6.75e+00 g/l > tetrahydrofolic acid > 0 $$$$