6540277 -OEChem-10051721113D 55 58 0 0 0 0 0 0 0999 V2000 -1.5890 -0.4780 -0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -1.5576 -0.3409 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 -0.6868 0.3164 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7144 1.4387 0.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2093 0.2164 0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7973 1.4890 0.8943 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -1.4529 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -2.5627 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 -0.7932 1.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 -2.1074 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -0.4040 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0689 -1.1848 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2084 -0.7268 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 0.1174 0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4504 -0.3518 -1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8149 1.5672 0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -0.6786 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5731 0.1375 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 2.4781 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 -0.6635 1.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 1.9475 -1.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1715 -1.3995 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 3.8134 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0221 -1.3956 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 3.2829 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 -2.1315 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1132 4.2158 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2786 -2.1294 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -1.9294 1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -3.4187 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1478 -2.9077 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 0.1037 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5814 -1.4937 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 -1.3674 -1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 -2.9765 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1646 -0.0195 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1231 0.4194 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4134 -2.0538 -1.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -0.3954 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 0.1655 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4598 -1.5157 0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.1341 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1967 0.4339 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 -1.2178 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 2.1799 2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 -0.1009 2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1237 1.2378 -1.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 -1.4063 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8099 4.5401 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7420 -1.3951 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3848 3.5960 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 -2.7011 -1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 5.2554 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 -2.6991 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0312 -0.0475 1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 18 2 0 0 0 0 4 6 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 M END > DB07917 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/TZQGXAHOROZEKN-UHFFFAOYSA-N/SDF?record_type=3d > C(CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=NN=NN1 > InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26) > TZQGXAHOROZEKN-UHFFFAOYSA-N > C22H27N5O > 377.4827 > 377.221560511 > 5 > 55 > -0.0031473192871981823 > 41.17042091983406 > 1 > 1 > 0 > 1 > 4-(diphenylmethoxy)-1-[3-(1H-1,2,3,4-tetrazol-5-yl)propyl]piperidine > 3.37 > 1.2351725156184927 > -3.95 > 1 > 0 > 4 > 0 > 4.868750523002199 > 8.97491135871709 > 66.93 > 113.01360000000003 > 8 > 1 > 4.22e-02 g/l > biotin > 0 $$$$