HMDB0252947 RDKit 3D 2-Cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid 51 55 0 0 0 0 0 0 0 0999 V2000 -4.7730 0.1766 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0960 1.1483 -1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4574 2.2585 -2.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9312 1.3585 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 2.6071 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 2.8054 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 1.8239 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 2.0412 1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 2.8024 2.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 2.7543 3.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 1.9706 2.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1527 1.5811 2.2519 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 0.7762 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8219 0.3137 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2703 -0.5673 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -1.4848 -1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9837 -2.3224 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3116 -2.2062 -2.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -1.2870 -2.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -0.4908 -1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4984 0.7181 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.5453 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 0.5976 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 0.3357 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1053 -0.8682 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -2.1864 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -2.8602 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -2.2791 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 -0.9661 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0462 2.9447 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 3.4180 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5174 3.7635 -0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0416 3.3633 3.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 3.2015 3.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6623 0.4894 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -1.5406 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 -3.0532 -2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6894 -2.8589 -3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1945 -1.2609 -2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 0.2403 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8294 0.3557 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.1774 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5799 -1.0740 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -2.8305 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0188 -1.9924 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 -2.6350 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 -3.9478 -0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2663 -3.0237 1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9955 -2.1212 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1682 -0.1433 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 -1.2134 2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 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 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 7 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 24 4 1 0 29 25 1 0 22 8 1 0 22 11 1 0 20 15 1 0 3 30 1 0 5 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 13 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 23 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 27 47 1 0 28 48 1 0 28 49 1 0 29 50 1 0 29 51 1 0 M END