3354 -OEChem-10051719303D 54 57 0 0 0 0 0 0 0999 V2000 -2.0443 -1.1347 0.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.0459 0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 0.3452 1.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7345 -2.7857 -0.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5493 0.0328 0.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3618 1.3067 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7985 -0.6241 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5249 2.2631 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0086 0.2693 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8612 1.6278 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 -0.8522 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1294 -0.2294 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2072 -1.7379 0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 -0.7340 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 -1.3796 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4797 -2.3603 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 -0.4939 -0.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 0.3417 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8696 -1.9547 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -3.0818 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 -3.7080 -0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3077 1.7999 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -4.0652 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -0.1096 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1415 2.5789 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 2.4070 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 3.9635 -1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 3.7915 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6187 4.5697 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 1.1449 -1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4728 1.8413 -0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9289 -1.5576 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7711 -0.8853 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 3.1861 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5337 2.5448 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1208 0.4097 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9212 -0.2228 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6851 2.2865 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9212 1.5038 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2844 -1.0946 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 -1.8108 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 -0.0379 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8665 0.6976 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -3.3985 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -4.4885 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 -5.1114 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -0.4373 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 -0.5840 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7698 0.9682 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 2.1209 -2.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7616 1.8139 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 4.5696 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 4.2637 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 5.6477 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 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 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > DB01148 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SPIUTQOUKAMGCX-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1 > InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 > SPIUTQOUKAMGCX-UHFFFAOYSA-N > C24H25NO4 > 391.4596 > 391.178358293 > 4 > 54 > 0.889394704831485 > 43.393929524942735 > 1 > 0 > 0 > 1 > 2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate > 3.65 > 4.235423206 > -4.41 > 1 > 1 > 4 > 1 > 7.905318620392549 > 55.84 > 113.51470000000002 > 6 > 1 > 1.54e-02 g/l > tetrahydrofolic acid > 0 $$$$