null CDK 0224162334 null 36 40 0 0 0 0 0 0 0 0999 V2000 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -4.1974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -4.9820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.9820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 -4.1974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1665 -3.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 -4.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 -5.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -5.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0058 -5.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 -4.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 -4.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1636 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 -1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 -1.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 27 34 1 0 0 0 0 34 35 1 0 0 0 0 35 24 1 0 0 0 0 35 36 2 0 0 0 0 M END > CHEBI:111382 > 6-methoxy-3-[[2-oxolanylmethyl-[1-[1-(phenylmethyl)-5-tetrazolyl]propyl]amino]methyl]-1H-quinolin-2-one > 2 > C27H32N6O3 > 488.582 > 488.25359 > 0 > CCC(C1=NN=NN1CC2=CC=CC=C2)N(CC3CCCO3)CC4=CC5=C(C=CC(=C5)OC)NC4=O > InChI=1S/C27H32N6O3/c1-3-25(26-29-30-31-33(26)16-19-8-5-4-6-9-19)32(18-23-10-7-13-36-23)17-21-14-20-15-22(35-2)11-12-24(20)28-27(21)34/h4-6,8-9,11-12,14-15,23,25H,3,7,10,13,16-18H2,1-2H3,(H,28,34) > GGNAEMSQXQYFTF-UHFFFAOYSA-N > LSM-22838 $$$$