HMDB0246698 RDKit 3D (R)-6-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)-N-(1-phenylethyl)-7H-pyrrolo[... 65 69 0 0 0 0 0 0 0 0999 V2000 -9.3371 1.0333 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9217 1.5542 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2804 0.9850 0.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 1.4425 0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9498 0.5121 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9414 -0.7299 0.8315 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 -1.8019 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -1.4840 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5627 -0.8302 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2324 -0.5328 -1.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 -0.8827 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -0.5761 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2957 -0.8745 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 -0.4014 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -0.4170 -0.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1914 -1.0223 0.4078 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 -1.0405 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 -1.7143 2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 0.3535 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4189 1.3492 1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8793 2.6377 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 2.9777 0.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7742 2.0374 0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 0.7500 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 0.1301 -1.6592 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 0.6893 -2.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9193 0.7181 -3.0943 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 0.1789 -2.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 0.0531 -2.2726 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5566 -1.5350 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.8293 0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2084 -1.1148 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 -0.4461 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3088 0.0431 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 0.8446 0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0133 1.7509 -1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3612 1.1651 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 2.6455 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8806 2.4649 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 1.5282 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 1.0134 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2574 0.3274 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4063 -2.7751 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8709 -1.8843 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -0.5482 -2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9727 -0.0197 -2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -1.3804 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 -1.4282 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 -1.5473 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 -1.0573 2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 -2.6073 2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 -2.0880 2.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4918 1.0657 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 3.3913 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 4.0083 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7088 2.3136 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8634 0.0103 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 1.1143 -3.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0663 0.4151 -3.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 -1.8065 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1175 -2.3505 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3213 -2.2192 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1948 -0.9535 2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4454 -0.8786 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2955 -0.7268 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 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 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 15 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 11 30 1 0 30 31 2 0 6 32 1 0 32 33 1 0 33 3 1 0 31 8 1 0 29 12 1 0 28 14 1 0 24 19 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 7 43 1 0 7 44 1 0 9 45 1 0 10 46 1 0 13 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 18 52 1 0 20 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 26 58 1 0 29 59 1 0 30 60 1 0 31 61 1 0 32 62 1 0 32 63 1 0 33 64 1 0 33 65 1 0 M END