71353 -OEChem-10051720443D 46 48 0 1 0 0 0 0 0999 V2000 -0.7959 -0.3059 1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 1.8378 -1.0717 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 1.3809 0.2850 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1881 1.0654 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 0.2089 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4084 -0.0926 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3831 2.2617 -1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 2.9265 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 0.0595 1.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -0.6794 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 -0.8149 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 -0.1115 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 -1.0178 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -1.7566 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1397 -0.6809 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2138 -1.9257 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7044 -2.0619 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 1.1445 0.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 -1.9367 -0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 -2.6215 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 0.0224 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 1.8290 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 1.2691 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9908 2.2026 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 1.9385 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4412 0.7696 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.1148 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -1.0201 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 3.0814 -1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1271 2.6266 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 1.4705 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 2.5778 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 3.3918 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 3.7194 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4403 0.7600 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6467 -0.5959 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0081 -1.1501 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2193 -2.4675 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 -2.7654 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7729 -2.6150 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4365 1.6106 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 -2.3936 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 -3.5932 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1879 -0.3961 -1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 2.7998 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4461 1.8026 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 14 2 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 16 2 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 39 1 0 0 0 0 17 20 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 M END > DB04884 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/USRHYDPUVLEVMC-FQEVSTJZSA-N/SDF?record_type=3d > CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1 > InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1 > USRHYDPUVLEVMC-FQEVSTJZSA-N > C21H23NO > 305.4134 > 305.177964363 > 2 > 46 > 0.9891270356647844 > 34.997023761555866 > 1 > 0 > 0 > 1 > dimethyl[(1S)-3-(naphthalen-1-yloxy)-1-phenylpropyl]amine > 4.75 > 4.667895755666667 > -5.56 > 1 > 1 > 3 > 1 > 8.958904109021285 > 12.47 > 96.13870000000004 > 6 > 1 > 8.37e-04 g/l > tetrahydrofolic acid > 1 $$$$