16750271 -OEChem-05201911093D 64 68 0 0 0 0 0 0 0999 V2000 -3.4561 -1.4248 1.1375 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 1.1531 1.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2518 1.3349 -0.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 3.5321 1.2298 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 -0.1172 -0.6121 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 -3.2163 0.3091 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 -1.2892 -0.2034 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.4790 -0.2558 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 1.0044 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2142 -0.4449 -2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8062 1.8766 -1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1691 0.9234 -2.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6566 -1.2513 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 -2.1686 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -1.8161 0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2298 -0.9502 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 -3.1076 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0854 -1.4014 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 0.4396 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4769 -2.7040 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 -3.5441 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 2.5084 0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -2.6295 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3332 -0.7880 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3965 0.6591 -0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 2.6645 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 3.4526 0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3963 3.5816 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 1.5611 -1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 2.8521 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0187 4.1464 1.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4329 -1.5905 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 3.1728 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 -2.9400 -0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 1.5446 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2307 0.6749 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1156 -0.9804 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -1.0432 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0816 2.6437 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6792 2.3854 -2.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 0.9247 -3.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1339 1.2282 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4932 -1.8094 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 -0.8779 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -2.9907 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 -2.5997 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 -3.7877 1.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 -0.7156 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 0.3804 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 0.9715 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -4.5589 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 -4.2175 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 2.8077 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8459 2.5900 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 4.4464 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4879 3.2546 -0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 4.6076 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3887 1.3241 -1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 3.8007 -1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 4.4010 2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 5.0808 1.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 -1.2065 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 2.1930 2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0286 -3.6520 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 20 1 0 0 0 0 6 23 1 0 0 0 0 6 52 1 0 0 0 0 7 23 1 0 0 0 0 7 24 2 0 0 0 0 8 23 2 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 51 1 0 0 0 0 22 27 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 33 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END > DB15294 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NNXDIGHYPZHXTR-ONEGZZNKSA-N/SDF?record_type=3d > C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=C(O3)C3=CC=NC(NC(C=C1)=C2)=N3 > InChI=1S/C26H30N4O4/c1-2-12-30(11-1)13-16-33-24-7-5-21-17-20(24)18-31-14-3-4-15-32-19-22-6-8-25(34-22)23-9-10-27-26(28-21)29-23/h3-10,17H,1-2,11-16,18-19H2,(H,27,28,29)/b4-3+ > NNXDIGHYPZHXTR-ONEGZZNKSA-N > C26H30N4O4 > 462.55 > 462.226705462 > 7 > 64 > 49.52305101320124 > 1 > 1 > 0 > 0 > (9E)-15-[2-(pyrrolidin-1-yl)ethoxy]-7,12,26-trioxa-19,21,24-triazatetracyclo[18.3.1.1^{2,5}.1^{14,18}]hexacosa-1(23),2,4,9,14,16,18(25),20(24),21-nonaene > 4.23 > 3.5557856346666665 > -3.91 > 0 > 5 > 1 > 13.8959359117199 > 8.857011333933817 > 81.88000000000001 > 131.69420000000005 > 4 > 1 > 5.68e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$