4746 -OEChem-10051719293D 55 57 0 1 0 0 0 0 0999 V2000 -2.6167 -0.7223 1.1045 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 -0.2900 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -0.7758 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 1.2188 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -1.0027 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2889 -0.4370 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -2.2757 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5818 1.5785 -1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 1.9589 1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 -0.4912 -0.2511 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4349 -1.3494 -1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 -2.7540 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 3.0755 -1.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 3.3330 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -1.9221 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6148 3.9513 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 -1.1913 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4398 -0.7506 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -0.2370 1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 -0.9170 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -0.4998 1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -0.3241 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.5880 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -2.0714 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 -0.9750 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 0.4976 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5857 -0.4524 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.8494 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 -2.5295 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6153 1.5417 -1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 1.0533 -1.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 2.1003 2.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 1.4358 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 0.5779 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -2.1811 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.8053 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7228 -2.7341 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -3.8044 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 3.3936 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 3.2609 -1.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 4.0002 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 3.2311 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -1.0995 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -2.5393 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3455 4.0924 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 4.9477 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -0.9683 -2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -2.2805 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -0.2375 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5301 0.3011 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0672 -1.3339 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 0.8515 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3309 -0.4450 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0062 -1.9857 0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 -0.4967 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 21 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 12 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 17 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 M END > DB01074 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CYXKNKQEMFBLER-UHFFFAOYSA-N/SDF?record_type=3d > C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1 > InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2 > CYXKNKQEMFBLER-UHFFFAOYSA-N > C19H35N > 277.4879 > 277.276950125 > 1 > 55 > 0.9997366501817181 > 36.2110195976158 > 1 > 1 > 0 > 1 > 2-(2,2-dicyclohexylethyl)piperidine > 5.87 > 5.531308548333334 > -7.01 > 0 > 1 > 3 > 1 > 10.57935259054534 > 12.03 > 87.22859999999999 > 4 > 0 > 2.72e-05 g/l > tetrahydrofolic acid > 1 $$$$