16750040 -OEChem-10051721123D 56 59 0 1 0 0 0 0 0999 V2000 -1.6044 -2.2760 -0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1984 0.7798 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.0360 0.6218 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8465 1.6320 -0.5111 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 -2.8319 -0.1332 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8765 -0.0780 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -2.3398 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 -0.9348 1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 -0.4202 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 1.1894 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -0.8908 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 0.6697 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1042 -1.8234 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0148 -4.2991 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 2.0062 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2693 -0.4447 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0256 -1.5560 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1636 0.6804 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3696 -1.5595 0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9278 -0.4573 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 1.9330 -1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2133 2.8661 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 0.1418 0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 -0.6277 -1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5586 2.7215 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 3.6547 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 0.5552 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 -0.2144 -1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 0.3771 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 3.5824 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 -2.7424 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 -2.4354 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2695 -3.0013 -0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -0.3136 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3527 -1.5978 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.2080 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 -0.7724 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -1.6756 1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9866 2.5337 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -4.4426 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -4.6650 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 -4.9248 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6068 -2.4245 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 1.5380 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9837 -2.4330 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9738 -0.4815 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 1.2652 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 2.9335 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 0.2830 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 -1.0890 -2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 2.6636 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 4.3246 1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 1.0141 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1654 -0.3564 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 4.1954 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 1.1661 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 29 1 0 0 0 0 2 56 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 38 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 39 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 18 2 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 30 2 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > DB07991 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/APLJSSOXDWUNGV-GOSISDBHSA-N/SDF?record_type=3d > [H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1 > InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1 > APLJSSOXDWUNGV-GOSISDBHSA-N > C26H26N2O2 > 398.4968 > 398.199428086 > 2 > 56 > -0.0031120655560800702 > 44.86403271359379 > 1 > 3 > 0 > 1 > N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)acetamide > 5.09 > 5.264428726333334 > -6.09 > 1 > 0 > 4 > 0 > 14.751059790764554 > 9.505600051902944 > -2.019539596426408 > 65.12 > 120.55300000000004 > 7 > 0 > 3.22e-04 g/l > biotin > 0 $$$$