Mrv1909 05201914282D 37 41 0 0 1 0 999 V2000 3.0123 0.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 0.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 1.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3553 1.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1291 3.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 3.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 2.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 4.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1291 4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 5.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6442 3.7475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 3.7475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4613 4.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 4.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9881 4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 3.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 2.8206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4613 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 3.7475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 3.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 4.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 4.4619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0498 3.7475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 2.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 5.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 5.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 5.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8748 6.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0498 6.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 7.3198 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 5.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 9 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 16 22 1 0 0 0 0 21 23 1 6 0 0 0 18 23 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 26 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 31 37 1 0 0 0 0 M END > DB14813 > drugbank > CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)C1=CC=CC(F)=C1 > InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25+,26-/m0/s1 > QETUKYDWZIRTEI-QUMGSSFMSA-N > C29H40FN5O2 > 509.67 > 509.316603711 > 4 > 77 > 57.450299882911125 > 1 > 1 > 0 > 0 > N-[(1S)-1-(3-fluorophenyl)-3-[(1R,3S,5S)-3-[2-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]acetamide > 3.86 > 1.986892264333331 > -4.11 > 1 > 5 > 1 > 15.110059735310672 > 9.283370120394792 > 70.47 > 142.2314999999999 > 7 > 0 > 4.00e-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 > DB14813 > investigational > PF-232798 > PF-00232798 $$$$