10173277 -OEChem-01051815253D 57 60 0 0 0 0 0 0 0999 V2000 -0.4067 -5.6737 -0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 0.4853 0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -2.9147 -0.0099 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -1.2040 0.4955 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 1.0831 0.7442 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 1.6373 0.4859 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 1.2634 0.2386 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5556 2.3326 0.4994 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -3.7527 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 -3.6299 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -4.9668 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4704 -4.8519 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 -1.5744 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 -0.6357 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3627 0.6756 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 0.1056 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0997 -0.5452 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 0.0417 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9072 1.0586 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6191 0.6276 -0.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 2.0512 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 2.2473 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7831 0.5934 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4202 0.7781 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7939 3.1447 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0049 1.5891 -1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6514 1.6843 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1569 2.9599 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 3.2389 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6668 2.9220 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3121 -0.7708 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7591 -4.0790 0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5846 -3.1927 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7527 -2.9966 1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -3.9453 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1484 -5.6515 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2493 -4.6755 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -4.5608 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -5.4515 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 -0.9503 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 -1.0310 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 -1.2943 1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4423 0.5375 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -0.7595 1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 2.6000 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8748 -0.4151 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 3.2838 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7563 -0.0817 -0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 4.1429 0.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.3004 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7157 1.5537 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8331 3.8092 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 4.2640 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9567 3.6883 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5213 -1.2989 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5918 -1.3556 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2351 -0.7234 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 13 2 0 0 0 0 4 16 1 0 0 0 0 5 15 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 45 1 0 0 0 0 7 22 2 0 0 0 0 8 19 1 0 0 0 0 8 29 2 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 20 26 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 30 2 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 M END > DB05611 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HSKAZIJJKRAJAV-KOEQRZSOSA-N/SDF?record_type=3d > CC1=CC=CC(\C=N\NC2=CC(=NC(OCCC3=CC=CC=N3)=N2)N2CCOCC2)=C1 > InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+ > HSKAZIJJKRAJAV-KOEQRZSOSA-N > C23H26N6O2 > 418.501 > 418.211724101 > 8 > 57 > 45.91666983402184 > 1 > 1 > 0 > 1 > 4-{6-[(E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl}morpholine > 3.91 > 4.815382321666667 > -4.18 > 1 > 4 > 0 > 14.422554224401857 > 5.8881264733495255 > 84.76 > 123.25739999999998 > 8 > 1 > 2.78e-02 g/l > 4-{6-[(E)-2-[(3-methylphenyl)methylidene]hydrazin-1-yl]-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-yl}morpholine > 0 $$$$