151194 -OEChem-10051720443D 40 43 0 0 0 0 0 0 0999 V2000 6.4826 -3.0002 -0.5588 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.9390 0.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -0.3861 0.2273 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -0.3006 0.4088 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -3.5610 0.1546 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 2.0001 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 2.0884 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8543 0.7378 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 0.5294 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7985 0.9068 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 3.1647 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 -0.9162 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7433 3.3409 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 4.4039 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 4.4918 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2164 0.0049 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1182 -1.4055 1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 -1.7141 -1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -0.0252 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0852 -0.9004 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 -2.7335 1.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -3.0284 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -0.9532 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0941 -1.8285 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -1.8549 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 0.8976 -1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 1.1235 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 3.1390 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 3.4553 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 1.6899 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 5.3012 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 5.4574 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 -0.7918 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4974 -1.3454 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4822 0.6709 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -0.8920 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8052 -3.1809 2.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 -3.7094 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -0.9624 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 -2.5235 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 10 2 0 0 0 0 5 21 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 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 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END > DB04879 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YCOYDOIWSSHVCK-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1 > InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25) > YCOYDOIWSSHVCK-UHFFFAOYSA-N > C20H15ClN4 > 346.813 > 346.098524207 > 4 > 40 > 0.011125535941211153 > 36.51945327333065 > 1 > 1 > 0 > 1 > N-(4-chlorophenyl)-4-[(pyridin-4-yl)methyl]phthalazin-1-amine > 4.50 > 4.151745737333333 > -5.29 > 0 > 0 > 4 > 0 > 15.168062932999383 > 4.946403560616263 > 50.7 > 100.97560000000001 > 4 > 1 > 1.79e-03 g/l > tetrahydrofolic acid > 0 $$$$