9991833 -OEChem-10051721223D 31 33 0 0 0 0 0 0 0999 V2000 -3.1827 0.0715 -0.0076 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 0.2063 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 -1.6642 0.0177 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 1.8982 0.0106 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -0.9032 -0.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 -0.3550 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 -1.0425 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 0.6128 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 1.1239 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 1.4214 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0869 -2.0992 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9447 0.4142 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4458 -1.0055 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 2.2757 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 0.1167 -1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 0.0609 1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7582 -0.5394 -1.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7818 -0.5927 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5734 1.7618 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 1.8015 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -0.7890 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4983 1.7425 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 -3.1541 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8344 -0.4853 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8117 -0.4928 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8635 -2.0176 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6061 3.3455 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 0.3801 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 0.2800 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 -0.7985 -2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 -0.8941 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 6 2 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 4 14 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > DB08533 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LXRVAGIYXNQOKP-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1 > InChI=1S/C13H13N5/c1-10-8-17-13-12(15-6-7-18(10)13)16-9-11-2-4-14-5-3-11/h2-8H,9H2,1H3,(H,15,16) > LXRVAGIYXNQOKP-UHFFFAOYSA-N > C13H13N5 > 239.2758 > 239.117095441 > 4 > 31 > 0.011928202981666093 > 25.845229763441637 > 1 > 1 > 0 > 1 > 3-methyl-N-[(pyridin-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine > 1.43 > 0.3154746680000002 > -3.74 > 0 > 0 > 3 > 0 > 16.05978885539339 > 5.090285162553741 > 55.11 > 71.8922 > 3 > 1 > 4.32e-02 g/l > tetrahydrofolic acid > 0 $$$$