68617604 -OEChem-10271711043D 63 66 0 0 0 0 0 0 0999 V2000 3.0955 -1.5974 1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 1.2584 1.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 0.9425 -0.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 -1.6856 -0.7831 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 2.3018 0.8722 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 0.5256 2.1362 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 2.5485 1.7012 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 1.5244 2.4697 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 -0.0731 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -0.5463 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 0.4469 1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -0.0190 1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6358 0.0235 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 -1.1896 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 1.5277 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6489 2.5639 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.7784 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5311 1.9641 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3165 -2.2968 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 3.0345 -2.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -1.4257 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4434 -2.7207 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 2.4471 -3.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 -0.9786 -1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -2.2733 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 -1.4025 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 -0.9383 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 0.2233 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6944 -1.6855 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2971 0.6376 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -1.2711 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 1.0219 1.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3215 -0.1097 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 -1.6412 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 1.5453 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 0.1217 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 -0.2209 -1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 -1.0448 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 1.0584 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5199 -0.5548 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0566 0.6187 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6436 1.2559 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 -1.2513 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 3.3365 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 3.0589 -1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.4718 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 -3.3168 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.1927 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 1.4824 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5594 3.5036 -3.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 3.8232 -1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.1049 -2.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -3.3981 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 2.0516 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 1.6395 -3.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 3.2198 -3.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -0.3126 -2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3343 -2.6135 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4798 -2.5939 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 1.5382 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8177 -1.8529 -1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3538 0.2124 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 3.4563 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 42 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 43 1 0 0 0 0 5 7 1 0 0 0 0 5 32 2 0 0 0 0 6 8 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 63 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 41 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 22 25 2 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > DBMET00008 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PAKGYCNZUGIDHV-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC(O)=NC1(CCCC1)C(O)=NCC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 > InChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31) > PAKGYCNZUGIDHV-UHFFFAOYSA-N > C25H30N6O2 > 446.5447 > 446.243024234 > 7 > 63 > 49.58429236181221 > 1 > 3 > 0 > 0 > 1-[(1-hydroxypentylidene)amino]-N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}cyclopentane-1-carboximidic acid > 3.89 > 5.401309013377853 > -5.15 > 1 > 4 > -1 > 5.7143787467093405 > 2.607641966976444 > 4.827961161035665 > 119.64 > 140.6024 > 9 > 0 > 3.16e-03 g/l > 1-[(1-hydroxypentylidene)amino]-N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}cyclopentane-1-carboximidic acid > 0 $$$$