154257 -OEChem-10051722083D 69 73 0 0 0 0 0 0 0999 V2000 -2.7351 2.2499 0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7687 3.5689 -1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 -5.7059 0.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9918 0.9976 -0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 0.0111 0.6521 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 0.8232 0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8848 1.4195 -1.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 0.1186 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 0.2026 -2.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1313 -1.0500 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5197 -0.5907 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8563 1.9111 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 1.3410 0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -1.0235 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 1.0276 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1755 -0.6779 -1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6716 0.6181 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.0434 1.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 0.6264 1.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4815 -2.2354 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 2.2653 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 1.4848 -1.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5748 -1.5000 -2.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 1.7137 0.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 1.7909 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 0.0074 2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8655 2.7259 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 3.1082 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 2.3364 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 0.5530 1.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -3.3127 0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 -2.3170 -0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -4.4804 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -3.4847 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -4.5664 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7818 1.7872 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 0.2040 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3241 1.9907 -2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6796 2.0886 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8098 0.8482 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1923 -0.2543 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8842 0.5454 -3.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6279 -0.4717 -2.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9253 -1.7155 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2100 -1.6433 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7685 -1.4750 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4380 0.0077 -1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 2.0548 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1736 2.9104 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 1.2298 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5051 0.3619 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -0.9765 2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 0.6304 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 2.5749 1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 1.1983 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -0.9084 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -2.3058 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -1.9500 -2.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 2.3209 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0972 -0.8969 2.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 4.0738 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 3.2441 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2837 0.0555 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 -3.2605 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8148 -1.4824 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -5.3160 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 -3.5453 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 4.3794 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 -6.3488 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 24 1 0 0 0 0 2 27 1 0 0 0 0 2 68 1 0 0 0 0 3 35 1 0 0 0 0 3 69 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 31 2 0 0 0 0 20 32 1 0 0 0 0 21 28 2 0 0 0 0 21 54 1 0 0 0 0 22 27 2 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 2 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 M END > DB06401 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UCJGJABZCDBEDK-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1 > InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 > UCJGJABZCDBEDK-UHFFFAOYSA-N > C30H34N2O3 > 470.613 > 470.256942963 > 4 > 69 > 54.05768281397682 > 1 > 2 > 0 > 0 > 1-({4-[2-(azepan-1-yl)ethoxy]phenyl}methyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol > 6.03 > 6.005592582323557 > -5.92 > 1 > 5 > 1 > 10.214503021558569 > 9.62655264121086 > 9.085709348452456 > 57.86 > 141.8958 > 7 > 0 > 5.64e-04 g/l > bazedoxifene > 0 $$$$