2396 -OEChem-02092017553D 55 59 0 0 0 0 0 0 0999 V2000 -1.6699 3.9708 -0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 0.5775 -2.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 1.3856 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 2.5386 -1.5753 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 -1.5953 -1.2495 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -2.9184 -1.5446 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 1.5100 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 1.4361 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 1.3001 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 1.5148 1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 1.5746 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 1.4297 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 -0.1474 -0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 0.5773 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -0.8373 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -0.2090 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3469 1.4182 2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.5790 2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 2.8603 -1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -1.6821 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5626 1.1888 -1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 -2.9822 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 -1.6263 -1.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6188 1.4827 3.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 1.5619 3.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 -1.4646 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2328 -4.0802 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 -2.3085 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1897 -1.6611 -1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 -2.5535 2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -3.8403 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 1.8254 -1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 1.8516 0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 1.3986 -2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 -0.6329 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -0.6748 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 0.3267 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4894 0.3112 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 1.3526 2.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 1.6422 2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0649 3.2185 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 -1.3888 -2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 1.4697 4.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 1.6108 4.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 -3.7112 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 -0.4683 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9566 -5.0823 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 -1.7761 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1676 -3.2991 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 -2.5096 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9031 -1.2001 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2728 -1.1554 -2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -2.7017 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -2.3917 3.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -4.6716 2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 4 41 1 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 18 2 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 24 1 0 0 0 0 17 39 1 0 0 0 0 18 25 1 0 0 0 0 18 40 1 0 0 0 0 20 22 1 0 0 0 0 20 26 2 0 0 0 0 22 27 2 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END > DB03777 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QMGUOJYZJKLOLH-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2 > InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) > QMGUOJYZJKLOLH-UHFFFAOYSA-N > C25H24N4O2 > 412.4837 > 412.189926032 > 3 > 55 > 0.9939646357571754 > 45.48234354804268 > 1 > 2 > 0 > 1 > 3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione > 4.39 > 2.5783368139471543 > -4.70 > 1 > 1 > 5 > 1 > 16.044644805275084 > 9.989128011097762 > 9.38570217501257 > 70.13 > 122.2098 > 6 > 1 > 8.24e-03 g/l > azoxystrobin > 0 $$$$