HMDB0252899 RDKit 3D 3-(6-((4-(Trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide 40 42 0 0 0 0 0 0 0 0999 V2000 -7.7381 1.6757 -0.4986 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4722 1.8662 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9904 3.1580 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 0.7765 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9469 -0.5317 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 -1.5550 -0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 -1.2771 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1964 0.0116 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7665 0.2949 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 -0.6285 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 -0.2646 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.2948 -0.1243 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 -1.0615 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 0.0655 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 0.1972 -0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 -0.7784 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0655 -0.6626 -0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6785 -0.0663 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2162 1.2468 1.1784 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 -0.0126 0.9073 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3674 -0.8290 2.1189 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1164 -1.9213 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.0564 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 1.0388 -0.3692 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 1.9601 -0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 1.6084 -0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1466 0.9981 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3818 2.4696 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4461 3.6151 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0206 -0.7328 -0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -2.5836 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 -2.1263 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -1.6540 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -2.2947 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 0.8695 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 1.1098 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7222 -2.7087 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2878 -2.9389 0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1994 3.0013 -0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 2.0157 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 16 22 1 0 22 23 2 0 11 24 2 0 24 25 1 0 25 26 2 0 8 27 2 0 27 4 1 0 26 9 1 0 23 13 1 0 1 28 1 0 3 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 10 33 1 0 12 34 1 0 14 35 1 0 15 36 1 0 22 37 1 0 23 38 1 0 25 39 1 0 27 40 1 0 M END