52195 -OEChem-10051719093D 47 49 0 0 0 0 0 0 0999 V2000 1.3001 -0.0961 3.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 0.3552 -0.4995 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 -0.3912 1.9869 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -0.0412 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 0.0807 1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3147 1.1406 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -1.2109 0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 0.6920 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -0.7476 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 0.1658 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 -0.1815 2.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9744 0.2538 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 2.4881 0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -2.5607 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1981 1.5928 -2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -1.6360 -2.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7895 3.3947 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1519 -3.4549 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 2.9514 -1.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 -2.9970 -1.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 0.4296 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 -0.8150 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0947 0.5873 -1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -0.7838 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 0.9677 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 1.0492 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3936 -0.7116 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -0.6490 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1181 1.1236 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 2.8356 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -2.9198 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 1.2663 -2.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.2979 -3.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 4.4562 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9789 -4.5180 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 1.1804 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 3.6755 -2.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 -3.7117 -2.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.4965 2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4382 -0.4400 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 1.3141 0.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7236 -0.8657 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3124 -1.7357 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 -0.8116 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8215 1.4909 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1537 0.6723 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9863 -0.2707 -2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 2 36 1 0 0 0 0 3 11 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 13 2 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 M END > DB00192 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UCEWGESNIULAGX-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12 > InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23) > UCEWGESNIULAGX-UHFFFAOYSA-N > C20H24N2O > 308.4174 > 308.1888634 > 2 > 47 > 0.9996063489515221 > 35.55943721524806 > 1 > 2 > 0 > 1 > 9-{3-[(propan-2-yl)amino]propyl}-9H-fluorene-9-carboxamide > 3.24 > 3.262375880333332 > -5.54 > 1 > 1 > 3 > 1 > 16.505978990594087 > 10.404717133138073 > 55.120000000000005 > 94.04620000000006 > 6 > 1 > 8.96e-04 g/l > biotin > 0 $$$$