5078 -OEChem-10051719263D 39 41 0 0 0 0 0 0 0999 V2000 -1.5592 -3.0941 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9948 2.1694 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 0.8772 0.3999 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 0.5185 -0.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5195 2.6422 -0.8014 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1882 -1.1721 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7774 -1.2919 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 -0.0491 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 -2.5064 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 1.0595 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -0.4810 0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -2.2954 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5547 -0.9144 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 -2.9524 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8936 -2.1314 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 -0.0607 1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0906 3.2254 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 2.7024 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7582 2.1246 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4001 1.6301 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 -0.4243 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 0.3315 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 0.6289 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1934 1.4085 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 0.4696 1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6323 -2.5991 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 -3.9863 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -3.8996 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 -2.4608 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 0.5343 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 -0.6624 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7498 4.0298 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1129 3.6587 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5319 2.8356 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 2.0321 2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 2.9162 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9354 3.6375 1.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 2.6053 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 1.7046 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 20 2 0 0 0 0 5 19 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > DB00953 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULFRLSNUDGIQQP-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2 > InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3 > ULFRLSNUDGIQQP-UHFFFAOYSA-N > C15H19N5 > 269.3449 > 269.164045633 > 3 > 39 > 0.9972406097079124 > 29.999849183730085 > 1 > 1 > 0 > 1 > dimethyl(2-{5-[(1H-1,2,4-triazol-1-yl)methyl]-1H-indol-3-yl}ethyl)amine > 1.67 > 1.7678793143333331 > -2.90 > 0 > 1 > 3 > 1 > 17.22771685729457 > 9.556421004446486 > 49.74 > 93.1323 > 5 > 1 > 3.38e-01 g/l > tetrahydrofolic acid > 0 $$$$