23642301 -OEChem-09151814063D 72 75 0 1 0 0 0 0 0999 V2000 2.4429 3.0618 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3879 -2.0369 0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 0.4719 -1.7303 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4140 -1.3598 0.9133 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 0.8247 -0.0136 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6875 1.9001 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0541 -0.1817 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9845 1.2672 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 1.4147 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 -0.6639 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3914 0.0413 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 1.2229 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -1.8133 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.1592 1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7042 -0.4381 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 1.7760 -0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0588 -0.9575 -1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1096 -1.5869 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2063 -2.2730 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 1.1205 -2.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 2.7125 1.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2333 2.5209 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 -1.2987 -1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 1.6324 -3.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3634 -1.3938 -2.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 -1.5160 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -1.9307 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 -1.7110 -1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 -1.8333 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2530 -2.2691 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 2.8270 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 -1.0169 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1735 -0.1618 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -0.5105 1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5631 0.2722 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 2.6641 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8827 2.4182 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 0.2580 2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -1.0414 1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7816 2.0189 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 0.9783 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 2.3276 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 -2.3574 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4105 0.0943 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 1.6062 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2073 -1.3876 -2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -1.4574 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5155 -3.1668 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 0.4248 -3.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 1.9566 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2558 3.2928 2.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 0.8208 -3.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 2.3805 -3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2228 2.1022 -4.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 -1.2321 -3.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 -1.4480 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8749 -1.4416 -0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 -1.7833 -2.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 -2.0005 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7783 -2.8458 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 -2.9364 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5435 -0.4611 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -0.3604 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 3.3263 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7544 1.7608 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3141 3.2763 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3665 -1.9731 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 0.4001 2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 0.4933 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5671 -1.1366 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 0.4012 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1255 -1.0486 0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 57 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 67 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 10 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 11 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 19 2 0 0 0 0 13 43 1 0 0 0 0 14 21 2 0 0 0 0 14 42 1 0 0 0 0 15 18 2 0 0 0 0 15 44 1 0 0 0 0 16 22 2 0 0 0 0 16 45 1 0 0 0 0 17 23 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 48 1 0 0 0 0 20 24 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 M END > DB06374 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SIFNOOUKXBRGGB-AREMUKBSSA-N/SDF?record_type=3d > CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1 > InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1 > SIFNOOUKXBRGGB-AREMUKBSSA-N > C30H38N2O2 > 458.646 > 458.293328472 > 4 > 72 > 55.1601254235856 > 1 > 2 > 0 > 0 > (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol > 6.54 > 6.228026737607293 > -6.12 > 1 > 4 > 1 > 10.579810687609621 > 9.964230019475007 > 44.730000000000004 > 143.1693 > 10 > 0 > 3.50e-04 g/l > (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol > 0 $$$$