6918554 -OEChem-10051720453D 57 60 0 1 0 0 0 0 0999 V2000 2.2243 -3.0475 -1.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -0.1732 2.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 3.6829 -0.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -1.7246 -0.9626 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 1.6484 0.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5695 -1.4260 -0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 0.0789 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8147 -1.8626 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 0.1775 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 -0.9239 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 1.2002 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -1.0249 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8258 -1.2957 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 1.1005 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 -0.0039 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -1.6392 -0.9120 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2226 2.1956 1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4874 -0.1054 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -1.1998 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 0.0448 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 3.2957 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0854 -0.8316 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -2.0958 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 0.3907 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -1.7433 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 1.0042 -1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -0.4985 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 2.1949 -1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 2.5817 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5865 -1.9692 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 0.7103 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 0.3713 0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 -2.9121 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 -1.6931 -2.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2698 -2.7252 -1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 2.0553 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6806 -1.8792 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -0.2150 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8096 -1.7990 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 -1.2111 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1517 1.8229 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6842 2.6422 2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9665 0.8696 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7597 -0.6574 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6031 3.7606 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1347 4.0775 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0702 2.9156 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 -1.8549 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1742 -0.8880 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8561 -0.3240 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -3.0660 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 -3.2204 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5382 0.7862 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 -2.4433 2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4471 1.9116 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 2.9170 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1012 0.6008 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 57 1 0 0 0 0 3 29 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 24 1 0 0 0 0 5 29 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 M END > DB05039 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QZZUEBNBZAPZLX-QFIPXVFZSA-N/SDF?record_type=3d > CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1 > InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 > QZZUEBNBZAPZLX-QFIPXVFZSA-N > C24H28N2O3 > 392.4907 > 392.209992772 > 4 > 57 > 0.9681500945003636 > 44.96309258969747 > 1 > 4 > 0 > 1 > 5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one > 3.31 > 3.2633259742508973 > -4.69 > 1 > 1 > 4 > 1 > 14.057652997721714 > 8.51088627371488 > 9.713040028275149 > 81.59 > 118.10239999999999 > 6 > 1 > 7.98e-03 g/l > tetrahydrofolic acid > 0 $$$$