86705695 -OEChem-05201910503D 62 66 0 0 0 0 0 0 0999 V2000 4.2981 2.1876 0.5163 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -2.1976 -0.4495 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.2462 -1.9947 -1.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -0.9865 2.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3223 -2.9787 -1.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 1.4302 -0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2681 -0.3988 0.0602 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 0.0848 1.4467 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1468 0.4110 0.3495 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 1.9066 -0.6379 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 2.6321 -1.5156 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6339 0.9051 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 1.0453 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7664 0.8701 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 1.6435 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 1.0652 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 1.6251 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 1.9043 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 0.5184 0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5007 -0.7984 0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5111 -0.3069 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -0.2161 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0110 -2.1181 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0458 -1.6377 -1.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7462 -0.5302 2.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 2.4717 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 0.0043 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 -1.8650 2.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5432 0.9248 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -1.3076 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 -1.6992 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8482 0.5332 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1094 -0.7787 -0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6797 -3.3093 -1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1765 0.9607 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8940 0.8898 1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3549 1.7193 0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 1.7121 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 2.4803 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 -0.1797 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5872 -0.0732 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2408 0.4846 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2708 -0.0251 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3123 -0.9299 1.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 2.4473 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3055 -2.9380 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2847 -1.5522 -2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3077 -2.4416 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9605 -2.3870 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.7040 3.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 0.1683 2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 3.0686 -2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 -2.6011 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -2.2481 2.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 -1.8274 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 -1.0817 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 -4.3652 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3175 -3.2147 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0606 -2.7410 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8607 1.8060 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 0.6524 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5071 0.1790 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 22 2 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 32 1 0 0 0 0 6 35 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 45 1 0 0 0 0 11 18 2 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 26 2 0 0 0 0 16 19 2 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 46 1 0 0 0 0 23 49 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > DB15102 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HCDMJFOHIXMBOV-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F > InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28) > HCDMJFOHIXMBOV-UHFFFAOYSA-N > C24H27F2N5O4 > 487.508 > 487.203110695 > 6 > 62 > 49.92842250354251 > 1 > 1 > 0 > 0 > 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-ethyl-4-[(morpholin-4-yl)methyl]-5,7,11,13-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1,3,6,8-tetraen-12-one > 2.26 > 1.8163329556666656 > -3.53 > 1 > 5 > 0 > 13.880927424636518 > 5.904092980269275 > 83.16000000000001 > 125.3239 > 6 > 1 > 1.44e-01 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 $$$$