101360807 -OEChem-10051720073D 95102 0 0 0 0 0 0 0999 V2000 -2.3373 0.2332 0.3221 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 0.0264 -0.9827 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -3.7758 -1.5089 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 3.2382 0.9226 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7332 3.1582 2.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2981 -1.2634 0.2981 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1710 4.1566 2.8636 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9487 -1.4601 3.4716 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 -2.3194 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6378 -2.1003 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -3.3939 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -4.4791 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4658 -4.7981 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -3.5699 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 -1.2399 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 0.9952 -0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0239 2.3310 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 3.1517 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 4.4522 0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 0.1385 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 -0.4568 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 -1.4266 -2.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 5.3030 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6523 -0.4744 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 -1.0595 2.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3268 -1.0577 1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 -2.7295 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 4.6336 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.9378 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 2.2769 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 4.2867 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9642 0.7118 -1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6841 -0.6106 1.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0365 -0.6024 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2614 -0.3552 -2.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4563 -1.6263 2.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 -1.6339 3.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 -2.9180 -3.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9864 -1.1695 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6975 -1.6711 2.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -1.3001 3.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -1.7643 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 -0.5705 -3.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 4.8573 1.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.8544 -3.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3907 2.0352 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 -0.0727 -2.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 2.5741 -2.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 0.4661 -3.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 1.7895 -3.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 -1.4267 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -1.6310 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 -3.7359 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -3.2068 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7184 -4.1424 2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 -5.3865 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 -5.4511 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -5.3485 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 0.4067 -0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 1.1915 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.9154 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 2.1685 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 3.3785 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9407 2.5422 -0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 4.2254 1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5695 5.0510 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 6.2418 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0726 5.5817 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4426 0.1068 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4671 5.3219 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 3.7476 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 0.4999 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 1.1028 -0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 2.1334 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 2.7080 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -0.2244 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2938 -0.2361 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 0.6609 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3168 -2.0221 3.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -1.9832 4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 -3.9143 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5092 -2.0936 2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 -2.2062 4.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.2594 -4.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 5.7222 2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 -2.0323 -4.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5086 2.6592 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4852 -1.1052 -2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3195 -1.7931 -0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6983 -0.3349 0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9468 -1.7368 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 3.6046 -2.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 -0.1445 -4.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 2.2091 -4.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0428 -1.9456 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 29 1 0 0 0 0 2 69 1 0 0 0 0 3 14 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 7 2 0 0 0 0 6 39 1 0 0 0 0 6 89 1 0 0 0 0 6 90 1 0 0 0 0 6 91 1 0 0 0 0 7 44 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 14 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 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 22 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 19 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 24 2 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 21 33 2 0 0 0 0 22 27 1 0 0 0 0 22 35 2 0 0 0 0 23 28 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 36 1 0 0 0 0 27 38 2 0 0 0 0 28 31 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 30 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 44 2 0 0 0 0 32 46 2 0 0 0 0 32 47 1 0 0 0 0 33 41 1 0 0 0 0 33 76 1 0 0 0 0 34 39 2 0 0 0 0 34 77 1 0 0 0 0 35 43 1 0 0 0 0 35 78 1 0 0 0 0 36 40 2 0 0 0 0 36 79 1 0 0 0 0 37 42 2 0 0 0 0 37 80 1 0 0 0 0 38 45 1 0 0 0 0 38 81 1 0 0 0 0 39 40 1 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 45 2 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 45 86 1 0 0 0 0 46 48 1 0 0 0 0 46 87 1 0 0 0 0 47 49 2 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 6 1 M END > DB03005 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ISUOMOOYAOQQPZ-UHFFFAOYSA-O/SDF?record_type=3d > NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2 > InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(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,45,47)/p+1 > ISUOMOOYAOQQPZ-UHFFFAOYSA-O > C42H45N8 > 661.8603 > 661.37671848 > 6 > 95 > 1.9876026044625141 > 77.08024116949636 > 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-5-yl)hexyl]phenanthridin-5-ium > 4.42 > 3.0907449291949227 > -6.37 > 1 > 2 > 8 > 2 > 8.887154795568494 > 111.55 > 217.57489999999996 > 12 > 0 > 2.96e-04 g/l > biotin > 0 $$$$