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1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -1.0563 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 -0.6290 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 3.7122 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 -1.9641 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 -1.9273 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -2.2199 -1.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 4.9998 0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1426 0.3327 -1.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 1.8096 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 5.3195 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -0.7920 2.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -0.6582 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 1.3246 -0.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 -3.1247 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 0.1649 -1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -3.2130 1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -2.1198 -2.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -1.8105 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 4.2342 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3035 -3.0567 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 -2.0748 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 -3.2869 2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 3.1571 -0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 0.2380 -2.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 2.5717 -0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 2.2647 1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -0.9066 -2.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7972 3.7892 -1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 3.4821 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 4.2443 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -1.6425 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8847 -2.4588 -0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7355 -3.7020 2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3502 -3.9039 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3589 -5.0562 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -5.9009 1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 -5.6153 -0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7345 -4.9913 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 1.7612 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 2.6461 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9965 2.2013 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 1.3222 0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7236 4.2752 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 3.3960 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.8558 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 3.7650 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 5.8460 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2541 4.9309 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 0.7185 -0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6994 -0.5517 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6586 0.7472 -2.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 5.5021 -1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6669 6.2503 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 0.0719 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 0.2572 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8746 1.6311 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6792 0.8577 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6807 -4.0928 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2095 1.0816 -1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -4.1331 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -3.0020 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 -3.9523 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2074 -4.2251 2.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 2.8287 -1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 1.1840 -2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 2.2302 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 1.6821 2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 -0.8591 -3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0099 -1.4161 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 -1.1798 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5304 -2.7110 -2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 4.3828 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 3.8367 1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 5.1923 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 -3.0580 3.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 2 69 1 0 0 0 0 3 14 2 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 33 1 0 0 0 0 4 43 1 0 0 0 0 5 38 1 0 0 0 0 5 89 1 0 0 0 0 5 90 1 0 0 0 0 5 91 1 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 8 41 2 0 0 0 0 8 95 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 18 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 23 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 22 2 0 0 0 0 19 29 1 0 0 0 0 20 24 1 0 0 0 0 20 31 2 0 0 0 0 21 26 1 0 0 0 0 21 35 2 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 27 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 25 2 0 0 0 0 24 36 1 0 0 0 0 25 34 1 0 0 0 0 26 37 2 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 33 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 45 2 0 0 0 0 29 46 1 0 0 0 0 30 39 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 41 1 0 0 0 0 31 74 1 0 0 0 0 32 38 2 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 40 2 0 0 0 0 34 78 1 0 0 0 0 35 44 1 0 0 0 0 35 79 1 0 0 0 0 36 42 2 0 0 0 0 36 80 1 0 0 0 0 37 47 1 0 0 0 0 37 81 1 0 0 0 0 38 40 1 0 0 0 0 39 43 2 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 42 83 1 0 0 0 0 43 84 1 0 0 0 0 44 47 2 0 0 0 0 44 85 1 0 0 0 0 45 48 1 0 0 0 0 45 86 1 0 0 0 0 46 49 2 0 0 0 0 46 87 1 0 0 0 0 47 88 1 0 0 0 0 48 50 2 0 0 0 0 48 92 1 0 0 0 0 49 50 1 0 0 0 0 49 93 1 0 0 0 0 50 94 1 0 0 0 0 M CHG 1 5 1 M END > DB02226 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NAARZDJZGYBXKL-UHFFFAOYSA-O/SDF?record_type=3d > NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1 > InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1 > NAARZDJZGYBXKL-UHFFFAOYSA-O > C42H45N8 > 661.8603 > 661.37671848 > 6 > 95 > 1.9876023857973588 > 77.75148107666334 > 0 > 3 > 1 > 0 > 3,8-diamino-6-phenyl-5-[6-(1-{2-[(1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}-1H-1,2,3-triazol-4-yl)hexyl]phenanthridin-5-ium > 4.66 > 3.200567227194922 > -6.37 > 1 > 2 > 8 > 2 > 8.887155739788609 > 111.55 > 217.11959999999993 > 12 > 0 > 2.97e-04 g/l > tetrahydrofolic acid > 0 $$$$