HMDB0248784 RDKit 3D 3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine... 55 58 0 0 0 0 0 0 0 0999 V2000 -7.4851 0.3113 0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8941 -0.8072 0.8891 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 -0.4533 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5916 -0.2331 0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2434 -1.4587 0.0428 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 -1.1697 -1.4958 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.4648 -0.3376 -2.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -2.4601 -2.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0343 -0.2609 -1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 -0.9351 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3002 -0.2397 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 1.1421 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 1.8701 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 3.2358 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 3.8767 -0.1472 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9523 3.1940 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 3.8659 0.3243 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 1.8211 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 1.0415 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 1.6716 0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0852 -0.3509 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1653 -1.2501 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4521 -0.8770 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4664 -1.7698 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1722 -3.1145 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9063 -3.4801 0.5229 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -2.6182 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 1.1898 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 1.7796 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 1.0962 -1.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 -2.4319 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6664 -1.8852 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5863 1.1713 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5426 0.0329 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9805 0.5926 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9118 0.4939 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4323 -1.2604 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6951 0.1023 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 0.5869 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 -2.0164 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -0.7373 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 3.8116 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8623 4.1174 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 4.1116 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1286 -0.7901 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7076 0.1638 0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -1.5000 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9281 -3.8503 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -2.9554 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 2.8459 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 1.5984 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1439 -3.0055 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 -3.1951 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3583 -2.7212 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9812 -1.6472 -1.0775 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 2 0 6 8 2 0 6 9 1 0 9 10 2 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 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 18 28 2 0 12 29 1 0 29 30 2 0 5 31 1 0 31 32 1 0 32 2 1 0 30 9 1 0 28 13 1 0 27 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 10 40 1 0 11 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 31 53 1 0 32 54 1 0 32 55 1 0 M END