2099 -OEChem-10051719273D 40 43 0 0 0 0 0 0 0999 V2000 0.3177 -1.6594 1.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2272 0.4667 0.9297 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 1.5447 -0.2458 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 -1.7256 -0.0315 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7906 -0.5921 -1.3643 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 1.3530 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2776 2.4128 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 0.0099 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 1.7773 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3081 -0.6534 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2136 0.3319 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1928 -0.4933 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 0.0900 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 2.8198 -0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -1.9951 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 0.0378 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 -0.4041 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 -2.3017 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -1.2991 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 0.3304 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5798 1.7611 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 -1.8117 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 3.2418 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 2.8139 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 1.6071 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 2.4641 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 -0.7091 2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 0.9442 1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 3.6146 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9667 2.9818 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 2.8105 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -2.7918 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 0.8088 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -3.3350 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 -1.5595 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 -0.4095 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 1.9132 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 2.2833 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 2.2320 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5427 -2.7151 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 17 1 0 0 0 0 4 22 2 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END > DB00969 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JSWZEAMFRNKZNL-UHFFFAOYSA-N/SDF?record_type=3d > CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2 > InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19) > JSWZEAMFRNKZNL-UHFFFAOYSA-N > C17H18N4O > 294.351 > 294.148061218 > 2 > 40 > 0.39205121121508735 > 32.51709091376847 > 1 > 1 > 0 > 1 > 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-1-one > 1.85 > 1.2119007720000001 > -2.83 > 0 > 1 > 4 > 0 > 13.31583876255286 > 6.809476545902646 > 53.92 > 86.40540000000001 > 2 > 1 > 4.38e-01 g/l > tetrahydrofolic acid > 0 $$$$