10221335 -OEChem-10051721013D 37 38 0 0 0 0 0 0 0999 V2000 -0.9430 -2.9432 0.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -1.6255 -0.6523 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 0.2842 0.9547 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 2.5764 1.5277 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1482 2.3843 -0.3721 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -2.0572 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -2.4502 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 -0.6250 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 -0.3465 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 0.9832 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 1.9636 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 -1.9290 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 1.5659 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9911 -1.0114 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6181 1.3577 -1.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -1.4712 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 0.3283 -0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3671 -0.5914 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8493 1.2081 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1473 0.7482 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 1.6505 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 -2.1957 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 -2.7315 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 -2.3468 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 -3.4980 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 -1.1288 -1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2731 -0.8198 -1.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 3.0074 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 2.2133 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 0.5337 -1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 1.6179 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 -2.5121 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 0.7356 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3732 -0.9648 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 2.2513 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3907 3.4114 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 2.2799 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 8 2 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 21 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB07389 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QINCZVSBLITNRD-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1 > InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21) > QINCZVSBLITNRD-UHFFFAOYSA-N > C16H16N4O > 280.3244 > 280.132411154 > 4 > 37 > 0.5402301870098213 > 30.826369461427298 > 1 > 2 > 0 > 1 > N-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-4-cyanobenzamide > 1.64 > 2.007896646666667 > -3.88 > 0 > 1 > 2 > 0 > 14.540197271731296 > 7.070038413356968 > 91.8 > 82.4427 > 4 > 1 > 3.69e-02 g/l > tetrahydrofolic acid > 0 $$$$