448055 -OEChem-10051720293D 41 43 0 1 0 0 0 0 0999 V2000 -2.1433 0.2067 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.4611 0.3755 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 2.4349 0.0249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8752 0.1175 0.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 1.3528 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 1.3115 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 2.6132 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 1.8054 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 2.6155 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7299 -0.2819 -0.4946 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8601 -0.8984 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 1.2191 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 -0.8609 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -0.5940 -0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 -0.0555 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 1.3781 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 -2.1999 0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 -1.9284 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.7335 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 -3.0408 -0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 1.4257 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 2.0001 2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7622 0.3123 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 2.6272 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1627 3.4998 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3437 2.4053 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0961 0.9575 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9616 2.1378 -1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 3.6348 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -0.4289 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 -1.0894 1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -1.8126 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 1.5176 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5651 1.8447 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3164 0.9820 -0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 -0.0541 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -2.8532 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 -3.7781 0.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -2.2908 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0555 -3.4166 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4982 -3.8780 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 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 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 35 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END > DB04149 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJORMJIFDVBMOB-LBPRGKRZSA-N/SDF?record_type=3d > [H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1 > InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1 > HJORMJIFDVBMOB-LBPRGKRZSA-N > C16H21NO3 > 275.3428 > 275.152143543 > 3 > 41 > -5.096338929833133e-08 > 30.286949261596796 > 1 > 1 > 0 > 1 > (4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one > 2.51 > 1.958526836 > -3.61 > 0 > 0 > 3 > 0 > 14.28276982215358 > -1.9269219764857985 > 47.56 > 76.16410000000002 > 4 > 1 > 6.72e-02 g/l > biotin > 0 $$$$