72696796 -OEChem-05201911063D 58 61 0 0 0 0 0 0 0999 V2000 -4.6125 -2.3027 -0.5659 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 -0.5310 1.5795 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 -0.8755 0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 2.2736 1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 2.5785 -1.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -2.2706 -1.9198 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1249 -2.1284 -1.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -3.5056 0.3048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 1.3824 -0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 0.5832 -1.2691 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 1.2094 -0.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 3.1350 1.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 2.2977 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 3.5214 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 1.4209 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3273 2.3223 0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 2.3065 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4711 0.3001 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 -0.6177 0.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 1.4680 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8003 -1.7316 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.4767 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5494 -2.3810 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -1.6038 1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 0.6307 -1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 1.4792 -1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 -2.1629 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -3.5378 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2325 1.9439 -0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 -1.8979 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8103 1.9577 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 1.1720 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 -3.8598 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 -3.0529 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 2.5559 2.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 4.0438 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 4.2210 0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 4.0200 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 2.9904 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 0.1647 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 0.5535 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3446 1.1951 1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6608 0.0451 1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.0561 -2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 1.0698 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 -2.1493 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 -3.1813 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 -1.4992 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -4.1766 -0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.2655 2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 2.3508 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1115 1.6378 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7307 1.7089 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 0.1320 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -4.7511 -0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -3.3261 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5767 -2.9020 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -3.0752 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 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 19 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 4 16 2 0 0 0 0 5 29 2 0 0 0 0 6 58 1 0 0 0 0 7 57 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 15 1 0 0 0 0 10 25 2 0 0 0 0 11 22 1 0 0 0 0 11 29 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 30 2 0 0 0 0 25 44 1 0 0 0 0 26 31 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 33 1 0 0 0 0 28 49 1 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END > DB15268 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HFYMDQMXVPJNTH-VQHVLOKHSA-N/SDF?record_type=3d > CN(CC1=C(C)C2=CC=CC=C2O1)C(=O)\C=C\C1=CN=C2N(COP(O)(O)=O)C(=O)CCC2=C1 > InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+ > HFYMDQMXVPJNTH-VQHVLOKHSA-N > C23H24N3O7P > 485.433 > 485.135187123 > 6 > 58 > 49.0930648802799 > 1 > 2 > 0 > 0 > ({6-[(1E)-2-{methyl[(3-methyl-1-benzofuran-2-yl)methyl]carbamoyl}eth-1-en-1-yl]-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridin-1-yl}methoxy)phosphonic acid > 1.54 > 0.7528114056937987 > -3.80 > 1 > 4 > -2 > 6.505828882315693 > 0.4489861163149116 > 2.85955848561152 > 133.41 > 124.423 > 7 > 1 > 7.77e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$