15983287 -OEChem-05201910453D 59 61 0 1 0 0 0 0 0999 V2000 -3.3288 1.0976 -1.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3588 -0.7327 -0.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 1.5700 0.3201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -3.0081 -0.1206 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 0.8296 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2724 -0.5495 0.2587 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3313 0.8530 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 1.9138 0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8906 2.2421 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 3.3001 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 3.3004 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 -1.6965 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7521 -0.5993 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -0.4280 -1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 -0.8133 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 -3.2340 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -4.0632 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 -0.4728 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.8581 1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 -0.6879 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9850 0.5043 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4612 0.3745 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 1.4357 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 -0.8034 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 1.3139 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 -0.9251 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 0.1335 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 0.0034 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5763 -0.6748 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7469 0.1902 -0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7124 0.5217 0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4497 1.6687 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 1.9904 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6606 2.5110 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9829 2.2258 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 4.0224 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 3.6341 -0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 3.1124 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 4.2897 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9851 -1.6771 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 -1.5740 -1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 0.5837 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 -0.3316 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.9386 2.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -2.6224 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8734 -3.0691 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5794 -4.2687 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 -5.0427 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 -4.0986 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6801 -3.9159 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -0.3561 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9416 -1.0247 2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7229 2.3585 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 -1.6360 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 2.1460 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9139 -1.8480 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 0.5878 -1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 -1.0377 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 0.3556 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 42 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 15 19 2 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 M END > DB15052 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QKYBZJLEMOZFFU-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CC(C1=CC=C(OC(=O)C2=CC=C(C)C=C2)C=C1)C1(O)CCCCC1 > InChI=1S/C24H31NO3/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24/h7-14,22,27H,4-6,15-17H2,1-3H3 > QKYBZJLEMOZFFU-UHFFFAOYSA-N > C24H31NO3 > 381.516 > 381.230393862 > 3 > 59 > 44.2852663227989 > 1 > 1 > 0 > 1 > 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate > 4.22 > 5.071050772000001 > -4.91 > 1 > 3 > 1 > 14.408397056009687 > 8.869304982236574 > 49.769999999999996 > 113.40510000000002 > 7 > 0 > 4.64e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$