40472480 -OEChem-10051720063D 26 26 0 1 0 0 0 0 0999 V2000 2.9939 -1.3759 -0.1044 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 -0.4640 0.1140 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7271 -0.8403 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 0.9940 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -0.3775 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 1.3842 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4269 -1.2057 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 0.8785 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 -0.7779 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 1.3065 -0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 0.4781 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -0.6015 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6758 -1.9323 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 -0.4584 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 1.1702 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 1.6701 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 1.1621 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 2.4592 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 0.8680 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6806 -2.3403 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6998 -1.2341 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -2.1855 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5072 1.5317 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3019 -1.4225 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7374 2.2841 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 0.8112 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 M END > DB02972 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IOLQWLOHKZENDW-JTQLQIEISA-N/SDF?record_type=3d > CC[C@H](N)CC1=CC=CC=C1 > InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3/t10-/m0/s1 > IOLQWLOHKZENDW-JTQLQIEISA-N > C10H15N > 149.2328 > 149.120449485 > 1 > 26 > 0.9990955275592598 > 18.10820568892624 > 1 > 1 > 0 > 0 > (2S)-1-phenylbutan-2-amine > 2.30 > 2.3267728766666664 > -2.28 > 0 > 1 > 1 > 1 > 10.043211676409015 > 26.02 > 48.229200000000006 > 3 > 1 > 7.80e-01 g/l > biotin > 1 $$$$