2119 -OEChem-10051719243D 41 41 0 1 0 0 0 0 0999 V2000 -0.1762 -0.2458 -1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 -1.6765 -2.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 0.4746 0.2116 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -0.4351 -1.9585 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6220 -0.7392 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 0.1589 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 0.4399 -1.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 1.4485 2.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -0.6085 2.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 0.5293 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7733 0.0550 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -1.3058 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 1.7993 -1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 0.8582 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 2.6026 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 2.1320 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3679 -2.3736 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2314 -3.1140 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.0565 -2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8516 -1.3561 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 -1.3701 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2246 -0.4601 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 1.0045 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 1.4078 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 0.5975 -3.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 1.9910 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9955 1.2336 3.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 2.1155 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1322 -1.6474 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.1215 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 -0.6538 3.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 -2.2027 -2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -1.2888 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 -1.5804 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 2.1932 -2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 0.5040 1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 3.5914 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 2.7566 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2766 -2.5592 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 -3.8739 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3566 -2.9761 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 24 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 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 M END > DB00866 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PAZJSJFMUHDSTF-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCC(O)COC1=CC=CC=C1CC=C > InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 > PAZJSJFMUHDSTF-UHFFFAOYSA-N > C15H23NO2 > 249.3486 > 249.172878985 > 3 > 41 > 0.9978476432721679 > 29.383222905592 > 1 > 2 > 0 > 1 > 1-[2-(prop-2-en-1-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol > 2.59 > 2.6927899056666664 > -3.12 > 0 > 1 > 1 > 1 > 14.08795204463494 > 9.666166510504235 > 41.49 > 74.66280000000002 > 8 > 1 > 1.88e-01 g/l > tetrahydrofolic acid > 0 $$$$