HMDB0250308 RDKit 3D 4,5-Dihydro-4-((1-piperazinyl)acetyl)-7-(3-(trifluoromethyl)phenyl)pyrazolo(1... 49 52 0 0 0 0 0 0 0 0999 V2000 -2.1177 1.2541 1.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 0.5499 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 1.5978 -0.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2513 -0.1647 -0.2857 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -1.3456 0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -1.6573 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 -1.0085 0.4734 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6284 0.0553 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3863 0.7479 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.2355 0.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -0.6375 1.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0857 -0.0287 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 -0.2648 0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 0.2629 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 1.6536 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 2.2603 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6469 1.4535 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5656 0.0982 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7402 -0.7890 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5648 -1.7586 -0.6914 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -1.3175 1.5320 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -0.0803 -0.0795 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -0.5127 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 -0.5798 -0.9556 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 -0.8755 -2.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 -1.0668 -3.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -0.8786 -2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.9471 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 -1.0132 -3.2445 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -0.5716 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6432 0.6387 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 1.5125 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 2.2608 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 1.7422 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7771 -1.5011 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1872 -2.2420 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9945 -2.4793 1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 -0.3732 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 0.7542 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4469 0.7606 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 1.7444 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -0.3846 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.7504 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3369 0.5133 2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 2.2761 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6635 3.3283 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6379 1.9182 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 -1.5932 0.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8262 -1.3256 -4.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 18 23 2 0 13 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 3 0 27 30 2 0 9 4 1 0 30 10 1 0 23 14 1 0 30 24 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 23 48 1 0 26 49 1 0 M END