HMDB0253823 RDKit 3D 1-(2-Chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylurea 50 52 0 0 0 0 0 0 0 0999 V2000 7.7621 -0.4233 1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 -0.6872 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5594 0.5994 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 1.3395 -0.0990 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 0.7571 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0184 -0.3567 -0.8287 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 1.5545 0.1561 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 1.1383 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 -0.0283 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -0.3478 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 0.4952 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 0.2759 -0.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1096 -0.8071 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -1.8958 -1.1575 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -2.9443 -1.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6052 -2.9168 -1.5229 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2319 -1.8562 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -1.8458 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3040 -0.7928 -0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6608 -0.7036 -0.1947 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5904 -1.6596 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 0.2690 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 1.3533 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4112 2.4365 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 0.2671 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -0.7942 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 1.7029 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 2.0110 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 3.5504 1.2333 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -0.5350 2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 -1.1022 2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.6248 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6057 -1.2082 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -1.3622 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 0.3713 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 1.2162 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 2.2974 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2203 2.4978 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 -0.7476 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -1.2878 -0.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -3.8029 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -2.6811 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9944 -2.2870 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4778 -1.1174 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1676 -2.2421 -1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 3.1065 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8838 2.9690 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 2.1073 1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5534 1.1010 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4003 2.3918 0.8390 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 2 0 5 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 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 1 0 20 21 1 0 19 22 2 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 2 0 11 27 1 0 27 28 2 0 28 29 1 0 28 8 1 0 26 13 1 0 26 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 15 41 1 0 18 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 24 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 27 50 1 0 M END