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0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2383 -2.0626 1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 -4.0677 2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 -3.8566 2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 4.3830 2.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8614 3.4984 2.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 2.1770 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -2.1009 -1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 2.0949 -1.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -0.7964 -1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 0.7888 -1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 -0.0111 -2.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7734 -2.2945 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7721 2.2934 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0966 -0.9900 -0.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0945 0.9873 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -0.2410 -1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 0.2350 -1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1859 -0.3322 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 0.9266 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 0.3351 0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 -0.9266 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3980 -0.5151 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 2.0282 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4003 0.5209 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 -2.0282 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2539 0.6015 1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9355 1.8178 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2562 -0.5957 1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9363 -1.8150 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3303 -5.4472 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -4.1058 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 4.1651 -0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 5.4578 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -5.0361 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 -4.7294 -2.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -6.1512 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0139 -6.0323 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 -4.5140 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 -5.1402 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 5.0419 -2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1308 4.7291 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7961 6.1391 -1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1961 5.1862 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 4.5286 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 6.0180 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8266 -1.6814 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -1.5446 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -1.7578 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -3.6824 2.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -5.1612 2.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -3.7129 3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -3.5147 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -4.9276 2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 -3.3389 3.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 3.8763 3.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 5.3861 2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 4.4949 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 3.0262 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 4.4899 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 2.8770 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8438 2.1980 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 1.7133 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 1.5140 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -2.5275 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 2.5190 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 0.6649 -3.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 -0.6813 -3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -2.8713 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 2.8733 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1608 1.2301 -2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -1.2504 -2.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6599 -1.4334 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5087 2.9635 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 1.4414 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5068 -2.9656 -0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2109 0.5313 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6618 2.6287 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2143 -0.5234 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6626 -2.6257 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 90 1 0 0 0 0 2 37 1 0 0 0 0 2 91 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 34 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 35 1 0 0 0 0 5 38 2 0 0 0 0 6 39 2 0 0 0 0 7 40 2 0 0 0 0 8 41 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 14 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 2 0 0 0 0 15 32 1 0 0 0 0 16 28 2 0 0 0 0 16 33 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 25 80 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 29 1 0 0 0 0 27 84 1 0 0 0 0 28 30 1 0 0 0 0 28 85 1 0 0 0 0 29 31 1 0 0 0 0 29 36 2 0 0 0 0 30 31 1 0 0 0 0 30 37 2 0 0 0 0 31 86 1 0 0 0 0 31 87 1 0 0 0 0 32 34 2 0 0 0 0 32 88 1 0 0 0 0 33 35 2 0 0 0 0 33 89 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 42 46 2 0 0 0 0 42 92 1 0 0 0 0 43 47 2 0 0 0 0 43 93 1 0 0 0 0 44 48 2 0 0 0 0 44 94 1 0 0 0 0 45 49 2 0 0 0 0 45 95 1 0 0 0 0 46 47 1 0 0 0 0 46 96 1 0 0 0 0 47 97 1 0 0 0 0 48 49 1 0 0 0 0 48 98 1 0 0 0 0 49 99 1 0 0 0 0 M END > DB11262 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FQUNFJULCYSSOP-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)CC(C)(C)C1=CC(CC2=C(O)C(=CC(=C2)C(C)(C)CC(C)(C)C)N2N=C3C=CC=CC3=N2)=C(O)C(=C1)N1N=C2C=CC=CC2=N1 > InChI=1S/C41H50N6O2/c1-38(2,3)24-40(7,8)28-20-26(36(48)34(22-28)46-42-30-15-11-12-16-31(30)43-46)19-27-21-29(41(9,10)25-39(4,5)6)23-35(37(27)49)47-44-32-17-13-14-18-33(32)45-47/h11-18,20-23,48-49H,19,24-25H2,1-10H3 > FQUNFJULCYSSOP-UHFFFAOYSA-N > C41H50N6O2 > 658.891 > 658.399524874 > 6 > 99 > 75.79528022924481 > 0 > 2 > 0 > 0 > 2-(2H-1,2,3-benzotriazol-2-yl)-6-{[3-(2H-1,2,3-benzotriazol-2-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl}-4-(2,4,4-trimethylpentan-2-yl)phenol > 8.65 > 11.839100000000002 > -6.16 > 1 > 6 > 0 > 9.416382783122991 > 7.559740829028316 > -0.5407578733061512 > 101.88000000000001 > 220.17180000000013 > 10 > 0 > 4.58e-04 g/l > bisoctrizole > 0 $$$$