HMDB0244322 RDKit 3D 4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline 53 58 0 0 0 0 0 0 0 0999 V2000 8.6075 1.5643 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 1.6733 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 0.9284 1.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2864 0.0609 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 -0.6799 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0003 -0.6504 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9839 -0.8053 2.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -0.7287 2.5412 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 -0.5347 1.4889 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5858 -0.4004 1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.2028 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 -0.0613 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -0.7222 1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6128 -0.5799 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 0.2385 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6229 0.3700 0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2947 1.3183 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 0.5244 -1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8369 -0.5076 -1.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8647 -0.5190 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4717 -0.4769 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 0.8987 -0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 0.7319 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -0.1529 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.2895 -0.8282 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -0.4792 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -1.5211 -1.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 -1.6275 -2.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 -0.8799 -1.8634 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3618 -0.0332 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5138 0.7012 -0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 2.1788 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6212 2.3571 2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 1.0243 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -0.9668 2.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -0.4432 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.3579 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2797 -1.0874 1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0984 1.8559 -0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6732 2.0858 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3407 0.0715 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7676 1.2189 -2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 -0.4838 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5123 0.2791 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3199 -1.4805 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0909 -1.5131 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5718 0.0093 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8001 1.5530 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 1.2765 -1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2856 0.0066 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 -2.1127 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1532 -2.2713 -2.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3552 0.6424 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 15 22 1 0 22 23 2 0 11 24 1 0 24 25 2 0 25 26 1 0 5 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 1 1 0 30 4 1 0 26 6 2 0 26 9 1 0 23 12 1 0 21 16 1 0 1 32 1 0 2 33 1 0 3 34 1 0 7 35 1 0 10 36 1 0 13 37 1 0 14 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 27 51 1 0 28 52 1 0 31 53 1 0 M END