5095 -OEChem-10051719113D 43 44 0 0 0 0 0 0 0999 V2000 -3.5619 2.7899 -1.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 -0.1268 0.2962 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9976 0.6057 -0.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2922 -0.5733 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 -0.2398 1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -0.7145 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6776 1.3221 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 -0.5084 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 0.0853 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8383 1.4775 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -0.3778 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 1.7824 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -2.0255 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -1.9950 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 1.7526 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6979 -1.6362 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 -2.4517 0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 3.2835 1.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -2.4501 -2.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.1427 -0.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 -1.6605 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 0.8348 1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -0.6872 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 1.8590 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 1.6163 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3072 -0.0216 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -0.2479 -0.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 2.1945 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0841 1.5342 -1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 1.2596 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 1.6062 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 -2.5144 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -2.4238 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7808 -2.6581 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9616 0.4937 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -1.9850 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0681 -3.4511 1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8132 3.8353 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 3.5695 1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 3.5958 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2745 -2.0101 -3.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.1401 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 -3.5393 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END > DB00268 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UHSKFQJFRQCDBE-UHFFFAOYSA-N/SDF?record_type=3d > CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 > InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19) > UHSKFQJFRQCDBE-UHFFFAOYSA-N > C16H24N2O > 260.3746 > 260.1888634 > 2 > 43 > 0.9993169851192657 > 31.19349866501622 > 1 > 1 > 0 > 1 > 4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-one > 3.16 > 3.0607688583333332 > -2.87 > 0 > 1 > 2 > 1 > 17.376539814735455 > 12.27165769874054 > 10.168721600168016 > 32.34 > 81.4278 > 7 > 1 > 3.53e-01 g/l > tetrahydrofolic acid > 1 $$$$