51001932 -OEChem-10051722403D 62 66 0 0 0 0 0 0 0999 V2000 -0.1557 -3.5795 0.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6262 3.2693 -0.6251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -2.2758 -0.0696 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 0.0443 -0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 1.7583 0.0787 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 -0.0744 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8752 -1.0461 0.7546 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5346 -0.0491 -0.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4234 2.1314 0.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 2.3951 1.4902 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8251 0.8421 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -1.1718 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 -3.6778 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 -1.1519 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 -2.2766 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1058 -0.4810 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 -3.9158 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1831 -1.8460 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -0.8694 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -0.7337 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2563 0.4302 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 2.6711 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -2.1282 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 0.2756 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 0.1125 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1892 0.3118 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 0.8596 -1.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 0.2534 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 2.2887 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 -1.5170 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 3.0445 -1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 3.9242 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 1.0516 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7070 1.1303 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -4.0514 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 -4.1839 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0547 -4.9864 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -3.3952 -1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 -2.5348 -0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 2.1789 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 -3.0221 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 1.1185 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 1.0234 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 -0.1567 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7569 1.4219 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0021 1.3332 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4099 -0.6763 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2251 0.2162 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0036 0.9869 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 1.2584 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4986 -2.4109 1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6871 3.7080 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 2.1535 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 3.5559 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7091 3.6613 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 4.5631 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 4.5204 0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5202 3.3011 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6398 1.5873 2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1546 0.1322 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0607 1.6915 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0727 1.6294 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 29 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 30 2 0 0 0 0 8 21 2 0 0 0 0 8 33 1 0 0 0 0 9 33 2 0 0 0 0 10 29 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 28 1 0 0 0 0 20 24 2 0 0 0 0 20 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > DB12108 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BEUQXVWXFDOSAQ-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)N1N=C(C)N=C1C1=CN2CCOC3=CC(=CC=C3C2=N1)C1=CN(N=C1)C(C)(C)C(N)=O > InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33) > BEUQXVWXFDOSAQ-UHFFFAOYSA-N > C24H28N8O2 > 460.542 > 460.233522174 > 6 > 62 > 51.72612134953242 > 1 > 1 > 0 > 0 > 2-methyl-2-(4-{4-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-9-oxa-3,6-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2,4,10,12-pentaen-12-yl}-1H-pyrazol-1-yl)propanamide > 3.19 > 2.670669755333334 > -3.24 > 0 > 5 > 0 > 15.685550934163114 > 3.8897814430868745 > 118.67 > 171.2578 > 5 > 1 > 2.67e-01 g/l > 2-{4-[4-(2-isopropyl-5-methyl-1,2,4-triazol-3-yl)-9-oxa-3,6-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2,4,10,12-pentaen-12-yl]pyrazol-1-yl}-2-methylpropanamide > 0 $$$$