23897 -OEChem-10051719383D 44 46 0 1 0 0 0 0 0999 V2000 -5.7218 0.0494 -0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7435 -2.0572 0.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 -0.1413 0.3586 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 1.8472 -0.0017 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6434 -0.0789 -0.0664 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5766 1.3480 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -0.8572 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 2.1697 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8918 -0.0228 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 1.3518 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6889 -0.8352 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2624 -0.3720 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 0.0209 -1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1663 -0.8434 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 0.8026 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 0.7598 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4696 -0.0852 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.7337 0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 1.0442 0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -2.3666 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 -0.0157 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 1.2799 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 1.9063 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -0.9798 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 -1.8681 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 3.1013 0.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 2.4315 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 0.6261 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -0.9579 -1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -1.8624 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9863 -0.9149 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 2.8259 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 1.7817 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 0.8287 -2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3068 -0.6387 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4494 0.9078 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7755 -1.7058 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 -2.3882 0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6826 2.0931 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8609 0.7827 1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 0.4369 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 -2.4549 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -3.3683 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7658 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 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 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 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 M END > DB01618 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KLPWJLBORRMFGK-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2 > InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3 > KLPWJLBORRMFGK-UHFFFAOYSA-N > C16H24N2O2 > 276.374 > 276.183778022 > 3 > 44 > 0.3088671947757567 > 32.000152547475096 > 1 > 1 > 0 > 1 > 3-ethyl-2-methyl-5-[(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-4-one > 2.09 > 2.0351150263333335 > -2.77 > 0 > 0 > 3 > 0 > 16.617503391764586 > 15.429410825995259 > 6.650210283280498 > 45.33 > 81.0594 > 3 > 1 > 4.74e-01 g/l > biotin > 0 $$$$