77991 -OEChem-10051719273D 40 40 0 1 0 0 0 0 0999 V2000 -1.6626 0.3976 -0.5173 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6859 -0.7248 1.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2616 -1.3728 0.0957 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 -0.9374 0.0442 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -0.0324 -0.5166 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9643 0.7099 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 -0.1928 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 0.2003 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 1.9138 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 -1.2593 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -2.0714 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 0.9083 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 2.6080 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3568 2.0985 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 -0.5999 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -0.4480 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -1.8353 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9829 0.6376 -1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0725 0.5524 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -0.9445 -2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -0.4464 -2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1522 0.7544 -2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -0.7359 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 2.3249 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -0.8594 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -0.6375 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 -2.2503 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5935 -2.9986 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -1.4771 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3973 -2.4032 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9593 3.5454 1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 2.6386 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3573 -0.4153 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7222 -1.4509 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1955 -1.3885 1.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6901 -2.0230 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3735 -2.7873 0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7782 0.4765 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3883 1.4939 -0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4518 0.9013 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END > DB00989 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XSVMFMHYUFZWBK-NSHDSACASA-N/SDF?record_type=3d > CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C > InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 > XSVMFMHYUFZWBK-NSHDSACASA-N > C14H22N2O2 > 250.3367 > 250.168127958 > 2 > 40 > 0.9844178743232911 > 28.561693916477527 > 1 > 0 > 0 > 1 > 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate > 2.45 > 2.4090931343333333 > -2.09 > 0 > 1 > 1 > 1 > 8.800552787893237 > 32.78 > 73.37060000000002 > 5 > 1 > 2.04e+00 g/l > biotin > 1 $$$$