5311068 -OEChem-10051719193D 31 32 0 1 0 0 0 0 0999 V2000 2.5808 1.0221 -0.4692 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 0.1767 1.4257 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7254 -0.5220 -1.0827 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6070 -0.5034 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 0.6486 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8712 -0.0633 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1107 -1.8508 -1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 0.6411 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0618 -1.6631 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 1.8923 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -0.5186 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 -1.6708 0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.5881 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 1.8616 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 1.1377 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6891 0.1786 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0153 -1.7155 -2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3091 -2.1910 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3258 -2.6507 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 -2.5730 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 1.7409 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 2.7643 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 2.1903 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0527 -0.5420 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -2.5726 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 1.6388 -1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9991 -1.4635 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 2.6739 0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 2.1861 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 1.6706 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 1.9381 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 13 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > DB00633 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CUHVIMMYOGQXCV-NSHDSACASA-N/SDF?record_type=3d > C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1 > InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1 > CUHVIMMYOGQXCV-NSHDSACASA-N > C13H16N2 > 200.2795 > 200.131348522 > 1 > 31 > 0.2593827660215148 > 23.31612272458075 > 1 > 1 > 0 > 1 > 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole > 3.28 > 3.390314838666667 > -3.06 > 0 > 0 > 2 > 0 > 14.088405723755136 > 6.544347475468593 > 28.68 > 62.9831 > 2 > 1 > 1.74e-01 g/l > tetrahydrofolic acid > 1 $$$$