88536661 -OEChem-10051719253D 64 65 0 0 0 0 0 0 0999 V2000 -11.2133 2.0727 1.3417 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 -2.2263 -1.6632 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -1.4459 0.8065 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 1.5877 -0.6475 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 -1.4668 0.2829 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 1.5079 -0.2167 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3948 -3.5439 0.7669 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4961 3.6350 -0.6189 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7572 -0.6010 -1.4979 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8235 0.5151 1.4693 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8809 -1.7722 -2.0235 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9965 1.7015 2.1196 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -0.3695 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 0.5909 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 -1.1281 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8548 1.3784 -1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0055 -2.1360 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 2.3353 -0.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 -2.1750 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 2.2708 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6629 -1.2874 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 1.2673 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8194 0.0360 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 -0.1385 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6058 0.6024 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0828 0.0993 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2338 0.3827 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 -1.3057 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6552 1.2324 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1325 0.7292 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -0.2628 -1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4052 -1.9513 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9185 1.2958 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8117 -1.4298 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 0.1984 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 -1.0843 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 0.0167 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 1.2902 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.6582 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1238 -0.4099 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0472 0.6757 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0409 1.9508 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 -2.6563 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 -2.8740 0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 2.8728 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 3.0650 -0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2784 -4.0150 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6042 -4.1258 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 4.2531 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4056 4.0654 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9157 -0.6814 -2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8332 0.2624 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6296 0.6052 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2628 -0.3391 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 1.3072 -0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1045 -1.7229 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4726 1.6764 2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1117 0.7708 -1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 0.1588 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8526 -2.8601 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0377 -2.3086 -1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 -1.5940 -2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 2.2591 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 1.4837 3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 17 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 19 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 20 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 11 21 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 22 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 30 2 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END > DB00878 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GHXZTYHSJHQHIJ-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1 > InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) > GHXZTYHSJHQHIJ-UHFFFAOYSA-N > C22H30Cl2N10 > 505.447 > 504.203196424 > 10 > 64 > 3.7501797394834875 > 54.58213081067789 > 0 > 10 > 0 > 0 > N-(4-chlorophenyl)-1-{N'-[6-(N-{[N'-(4-chlorophenyl)carbamimidamido]methanimidoyl}amino)hexyl]carbamimidamido}methanimidamide > 2.71 > 4.510369177333333 > -4.29 > 0 > 4 > 2 > 4 > 10.516535504977844 > 167.58 > 181.71459999999993 > 9 > 0 > 2.61e-02 g/l > tetrahydrofolic acid > 0 $$$$