5210 -OEChem-10051719293D 45 46 0 1 0 0 0 0 0999 V2000 -5.2916 1.2704 0.2392 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 1.0916 -0.8074 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -1.0166 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7011 -1.9615 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -2.1807 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 0.1430 0.2849 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3445 -3.1325 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -0.4412 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 -0.4179 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.6114 0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.1185 1.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -0.4597 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.6146 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 0.4557 -2.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6549 1.3540 1.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 1.6182 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 0.6455 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1923 0.0672 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6990 0.6201 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 -2.0943 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.0157 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -2.3021 1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -2.3658 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 0.6492 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 -4.0151 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -3.4504 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 -1.0896 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -1.0022 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 0.0656 0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0287 0.1425 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 -0.8846 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 2.6521 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9359 1.4010 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 1.9208 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2799 -0.1178 -2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -0.0934 -2.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5101 1.2798 -2.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 2.0341 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 1.9622 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 0.6548 2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 1.1239 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 2.3623 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 2.1910 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 1.0720 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 0.0392 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 18 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 M END > DB01105 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UNAANXDKBXWMLN-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1 > InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3 > UNAANXDKBXWMLN-UHFFFAOYSA-N > C17H26ClN > 279.848 > 279.175377544 > 1 > 45 > 0.9983218430213329 > 32.9023403047825 > 1 > 0 > 0 > 1 > {1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine > 5.05 > 5.201850084 > -5.47 > 0 > 1 > 2 > 1 > 9.774437990168428 > 3.24 > 83.9214 > 5 > 0 > 9.40e-04 g/l > biotin > 1 $$$$