66265 -OEChem-10051719313D 32 32 0 1 0 0 0 0 0999 V2000 -4.3623 -0.5618 -0.4670 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 -2.0488 -0.7186 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 -1.4227 1.2788 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -0.0959 0.4512 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 0.1023 -0.1298 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5074 0.6117 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.8867 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0139 -1.2198 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 -0.5181 -0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 -0.1276 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 2.1489 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 0.1271 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4863 2.4035 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 1.3927 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1336 -0.7251 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -0.9532 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 0.8598 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 1.5313 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -0.1118 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1225 0.7724 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -1.1562 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -2.0422 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -1.5026 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 -1.4827 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 0.2236 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -1.1123 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 2.9418 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7409 3.3887 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 1.6104 -0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5213 0.2026 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1212 -1.4909 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 -1.0493 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > DB01191 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DBGIVFWFUFKIQN-VIFPVBQESA-N/SDF?record_type=3d > CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F > InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3/t9-/m0/s1 > DBGIVFWFUFKIQN-VIFPVBQESA-N > C12H16F3N > 231.2573 > 231.123484132 > 1 > 32 > 0.9993914144753058 > 22.685157655315663 > 1 > 1 > 0 > 1 > ethyl[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine > 3.30 > 3.4714873116666665 > -4.03 > 0 > 1 > 1 > 1 > 10.215413995825989 > 12.03 > 59.2021 > 5 > 1 > 2.15e-02 g/l > biotin > 1 $$$$