11671467 -OEChem-05021811253D 66 69 0 0 0 0 0 0 0999 V2000 -0.6542 0.9048 -3.2935 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.1197 -5.9235 -0.2541 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7649 0.4585 0.1723 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 3.1192 -1.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 0.8171 -2.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 2.3964 -2.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -0.0356 -2.4406 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 0.5710 -4.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5628 1.6309 2.8422 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 3.2187 0.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0683 3.7322 1.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 0.9761 -0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -1.2918 0.0103 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -3.5503 0.5532 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 -2.4955 0.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2109 -1.4913 0.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0292 -3.7662 -0.2232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2846 1.7968 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9849 2.0358 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -0.2956 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 2.6385 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 2.2513 1.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 -0.4996 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 1.1198 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -1.7637 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -2.5029 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 -2.7888 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3533 -3.6131 0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -4.8275 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -2.6412 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9224 -0.1694 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 0.8864 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8753 0.0852 1.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 1.3956 1.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 2.1967 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 2.4513 1.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 -4.8448 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 0.4962 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1973 2.8723 -0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1343 4.4499 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 2.4710 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 2.3516 -1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 3.7106 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9815 2.1043 2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 3.3072 1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 1.6715 2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 2.1595 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 0.4790 -0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -1.9516 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5854 -3.7725 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -4.4356 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -1.6328 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4818 0.6277 -0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 -0.7563 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 2.7241 -3.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -0.1969 -2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -5.7543 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.8708 3.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.0306 2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -0.1668 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6882 3.8053 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 2.2540 -0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8094 2.4140 -1.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0359 5.4596 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 4.5228 0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 3.9651 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 29 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 9 34 1 0 0 0 0 9 38 1 0 0 0 0 10 35 1 0 0 0 0 10 39 1 0 0 0 0 11 36 1 0 0 0 0 11 40 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 24 1 0 0 0 0 13 20 1 0 0 0 0 13 26 2 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 51 1 0 0 0 0 15 28 2 0 0 0 0 15 30 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 52 1 0 0 0 0 17 30 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 2 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 37 2 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > DB12010 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKDRMWXFWHEQQT-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC > InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29) > GKDRMWXFWHEQQT-UHFFFAOYSA-N > C23H26FN6O9P > 580.4595 > 580.148291177 > 13 > 66 > 54.4756783971455 > 0 > 4 > 0 > 0 > {[6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl]methoxy}phosphonic acid > 2.78 > 1.4584369746612817 > -4.05 > 1 > 4 > -2 > 6.505269006246614 > 1.4568802666130738 > 2.709503711199088 > 186.72 > 137.0952 > 10 > 0 > 5.20e-02 g/l > fostamatinib > 0 $$$$