5311017 -OEChem-10051719243D 39 40 0 1 0 0 0 0 0999 V2000 -0.6841 0.1942 0.1886 N 0 0 2 0 0 0 0 0 0 0 0 0 0.6827 0.4002 -0.2992 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6712 0.2720 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 0.1805 -0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 1.7692 -0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 -0.0502 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 1.2351 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0351 -0.0857 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -1.3753 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 0.9851 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4949 -1.3933 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 0.9801 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 -1.6731 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2658 0.6871 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8007 -1.6402 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1606 0.7332 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 -0.6420 -0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 -0.5770 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 -0.3770 -1.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3451 -0.5223 1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 1.1882 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 -0.5979 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6612 1.1158 -1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7615 1.9177 -1.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 2.6119 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 1.8779 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 1.3835 1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 0.9323 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 2.2114 0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 -2.1854 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 2.0238 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 -2.2289 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 2.0073 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0899 -2.7079 -0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 1.4899 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -2.6602 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 1.5611 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 -0.8739 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6504 -0.7691 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 16 2 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END > DB00865 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YXKTVDFXDRQTKV-HNNXBMFYSA-N/SDF?record_type=3d > C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1 > InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1 > YXKTVDFXDRQTKV-HNNXBMFYSA-N > C17H21N > 239.3553 > 239.167399677 > 1 > 39 > 0.9980957811791416 > 29.02921849827269 > 1 > 0 > 0 > 1 > benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine > 3.72 > 4.34435193 > -4.01 > 0 > 1 > 2 > 1 > 9.719455366577789 > 3.24 > 78.38710000000002 > 5 > 1 > 2.33e-02 g/l > tetrahydrofolic acid > 1 $$$$