15981237 -OEChem-10051722553D 41 43 0 0 0 0 0 0 0999 V2000 0.8160 -1.3288 2.5569 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 3.0026 -0.7157 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 0.9335 1.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2272 -1.7978 -2.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8163 2.7651 -0.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1209 -0.3616 -0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.1376 -1.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 0.4939 0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 -0.4550 -0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -0.7956 0.1228 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4502 1.2362 -0.5692 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5019 -3.5849 0.1032 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6099 -0.3740 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 -0.3665 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1659 1.0379 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -0.9686 1.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 0.3134 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5153 -1.1610 -1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.2090 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 0.6075 0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 0.8240 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2718 -0.3003 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 1.6244 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 -0.1909 1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 1.7337 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 1.5739 -0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9888 -1.0519 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9764 -0.0274 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2724 -2.4531 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0671 -0.9916 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2615 1.0197 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8430 1.7108 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8549 1.4748 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 -1.9781 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -0.3587 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1259 -1.0427 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.9128 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6711 -1.6581 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8465 -1.0900 1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5749 2.3184 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 1.9970 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 5 26 2 0 0 0 0 6 28 2 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 26 1 0 0 0 0 9 19 2 0 0 0 0 10 27 2 0 0 0 0 11 26 1 0 0 0 0 11 28 1 0 0 0 0 11 41 1 0 0 0 0 12 29 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 M END > DB12914 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FDBYIYFVSAHJLY-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=CC(OC2=C(Cl)C=C(C=C2Cl)N2N=C(C#N)C(=O)NC2=O)=NNC1=O > InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28) > FDBYIYFVSAHJLY-UHFFFAOYSA-N > C17H12Cl2N6O4 > 435.22 > 434.0297083 > 6 > 41 > 39.40422350667546 > 1 > 2 > 0 > 1 > 2-(3,5-dichloro-4-{[6-oxo-5-(propan-2-yl)-1,6-dihydropyridazin-3-yl]oxy}phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile > 3.60 > 2.97264993 > -4.54 > 0 > 3 > -1 > 8.687509344862805 > 5.645380053173704 > -5.246536988888834 > 136.25 > 102.45139999999999 > 4 > 1 > 1.26e-02 g/l > 2-{3,5-dichloro-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl}-3,5-dioxo-4H-1,2,4-triazine-6-carbonitrile > 0 $$$$