151171 -OEChem-10051719253D 64 69 0 0 0 0 0 0 0999 V2000 2.8427 -3.0719 -0.7025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 -0.2529 -2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2275 -1.0670 0.4781 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 3.0606 -0.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 2.1725 -0.6912 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -1.4347 -0.0311 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 1.2919 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6696 0.1133 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8599 1.7947 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 1.2489 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -1.1808 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 -0.0927 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 3.2415 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4361 -2.0662 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 -2.4510 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 -0.3269 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -1.9023 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 -2.6534 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4522 -1.5883 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 4.5084 -1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3409 -1.2339 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -2.4165 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 -1.5915 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -1.0781 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -2.2608 0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4368 -0.7679 -0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 0.2763 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9856 -0.7968 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1776 1.3857 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2051 -1.8233 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 0.2662 0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5715 -1.8334 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1422 -0.7886 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5786 1.3185 1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 2.5149 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 2.3857 2.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2372 3.5821 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 3.5175 1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 1.0255 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 2.0912 0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 0.3570 2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -0.1290 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 3.7382 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5815 -3.3025 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 0.4766 0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 -3.6377 1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 -1.7335 0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 4.4598 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 4.7207 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 5.3419 -0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 -0.8360 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -2.9390 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -0.5496 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7108 -2.6655 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -1.8317 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -2.6404 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8092 1.0718 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1911 -2.6547 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2061 -0.7967 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 0.4431 2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 2.5807 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3386 2.3351 3.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 4.4631 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 4.3481 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 28 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 43 1 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 23 1 0 0 0 0 6 28 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 22 25 2 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 36 1 0 0 0 0 34 60 1 0 0 0 0 35 37 2 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 M END > DB00872 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IKENVDNFQMCRTR-UHFFFAOYSA-N/SDF?record_type=3d > CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1 > InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37) > IKENVDNFQMCRTR-UHFFFAOYSA-N > C32H26N4O2 > 498.5744 > 498.205576096 > 3 > 64 > 0.1442598212390716 > 55.51269498872905 > 1 > 2 > 0 > 0 > N-(4-{4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),3,10,12-pentaene-9-carbonyl}phenyl)-[1,1'-biphenyl]-2-carboxamide > 5.23 > 5.437165417333334 > -5.46 > 0 > 0 > 6 > 0 > 15.349329964152055 > 13.527377509572448 > 6.226804504631476 > 78.09 > 150.83429999999996 > 4 > 0 > 1.75e-03 g/l > tetrahydrofolic acid > 0 $$$$