108092 -OEChem-10051720443D 46 47 0 0 0 0 0 0 0999 V2000 -1.8615 -0.6185 -0.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 0.2945 0.0857 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 -0.4764 -0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3144 1.6608 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5855 -0.3549 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 0.1710 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3816 2.4942 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5815 -1.7767 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8972 -0.5547 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 -0.5314 1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 -0.5965 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -0.0264 0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6932 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 0.5629 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -1.7142 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 0.5418 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6347 1.3260 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -0.9298 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 1.7909 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -0.4649 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 0.8955 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 -1.4901 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 -0.5899 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4634 1.6869 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 2.1858 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8701 -0.3617 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3750 0.1663 0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 1.1608 -0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 0.2455 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3914 2.2452 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3372 2.3917 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2279 3.5540 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6107 -2.1500 0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1657 -1.8307 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0355 -2.4681 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2234 0.0796 2.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 -1.5354 1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 -2.5712 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 1.4585 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 -2.6030 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7983 1.4425 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 2.0309 1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8018 -1.9908 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8837 2.8500 -0.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5911 -1.1621 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1359 1.2574 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 M END > DB04905 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NFIXBCVWIPOYCD-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1 > InChI=1S/C19H25NO/c1-3-20(4-2)14-15-21-19-12-10-18(11-13-19)16-17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3 > NFIXBCVWIPOYCD-UHFFFAOYSA-N > C19H25NO > 283.4079 > 283.193614427 > 2 > 46 > 0.9953419216918526 > 33.95343679937734 > 1 > 0 > 0 > 1 > [2-(4-benzylphenoxy)ethyl]diethylamine > 4.65 > 4.639629009 > -4.50 > 0 > 1 > 2 > 1 > 9.329765510721165 > 12.47 > 89.77470000000002 > 8 > 1 > 9.05e-03 g/l > biotin > 1 $$$$