5289111 -OEChem-10051720413D 42 44 0 0 0 0 0 0 0999 V2000 2.3427 -1.5159 0.8942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 -1.5410 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 0.5422 1.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 0.5136 -1.3012 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 1.7258 0.4217 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 1.7207 -0.4482 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 0.7573 -0.7204 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 0.7756 0.7155 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6034 0.0322 1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 -0.0025 -1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5827 -0.1567 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5967 -0.1698 -0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 0.3922 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 0.3722 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 -0.2885 0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 -0.2985 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 -0.3603 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 -1.3623 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6664 -1.3609 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 0.8629 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4418 0.8605 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 -1.5093 -1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5841 -1.4866 1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 2.3247 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 -0.4291 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3936 -0.3987 1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9887 0.7452 2.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -0.9121 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0041 0.6988 -2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -0.9584 -2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 1.5498 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 1.5228 -1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -1.4424 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0145 -2.1953 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0214 -2.1986 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 1.8277 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 1.8147 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 -2.4402 -1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6636 -2.4070 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 3.4077 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1404 -0.4928 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1258 -0.4457 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 31 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 24 2 0 0 0 0 7 20 1 0 0 0 0 7 25 2 0 0 0 0 8 21 1 0 0 0 0 8 26 2 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 18 1 0 0 0 0 11 20 2 0 0 0 0 12 19 1 0 0 0 0 12 21 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 17 33 1 0 0 0 0 18 22 2 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > DB04761 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NHPBWKYFMTXWAA-UHFFFAOYSA-N/SDF?record_type=3d > O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1 > InChI=1S/C18H16N6O2/c25-17(21-10-13-3-1-5-19-8-13)15-7-16(24-12-23-15)18(26)22-11-14-4-2-6-20-9-14/h1-9,12H,10-11H2,(H,21,25)(H,22,26) > NHPBWKYFMTXWAA-UHFFFAOYSA-N > C18H16N6O2 > 348.3586 > 348.133473786 > 6 > 42 > 0.016189128050555307 > 36.04076402817182 > 1 > 2 > 0 > 1 > N4,N6-bis[(pyridin-3-yl)methyl]pyrimidine-4,6-dicarboxamide > 0.23 > -0.01632979199999976 > -4.24 > 1 > 0 > 3 > 0 > 14.031334502961606 > 13.027673276888784 > 5.117142266953522 > 109.75999999999999 > 94.83989999999999 > 6 > 1 > 1.99e-02 g/l > tetrahydrofolic acid > 0 $$$$