206044 -OEChem-10061700063D 66 69 0 0 0 0 0 0 0999 V2000 3.2592 2.7813 0.9742 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6695 -0.7777 -1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9194 0.2002 -0.6686 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 0.0875 1.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 3.2641 0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 4.1838 -1.8016 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1818 -5.1853 -0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 2.0988 0.3195 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 0.2686 0.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 2.6589 -0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 2.8313 1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 2.8191 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 1.1921 -0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 3.3515 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9022 2.7934 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.5611 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 1.8000 1.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 3.8252 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2481 1.7872 1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1657 3.8124 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2914 2.8640 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -0.8720 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -2.2069 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 1.0019 -3.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3143 0.7409 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6207 -3.2901 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -2.4203 1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6546 3.5062 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 -1.1572 -0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5924 -4.5864 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0081 -3.7167 1.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -4.7997 1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4843 -1.5429 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -2.1252 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8015 -2.8964 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6268 -3.4790 -0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8727 -3.8644 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4727 -5.5092 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 2.7670 0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6172 3.1467 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 3.8592 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 2.3842 2.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 3.2353 -1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 4.4179 -0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 1.0111 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7817 4.6364 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.9910 2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6374 4.6311 -0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 2.1958 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5401 3.6453 -1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2842 2.0588 -3.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 0.4252 -3.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 0.8687 -3.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -3.1659 -1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 -1.5915 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 -5.4300 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -3.8831 3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 -5.8090 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2108 -0.7921 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -1.8307 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7865 -3.1256 0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -4.2285 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2374 3.6928 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5936 -5.1620 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2703 -5.1455 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5481 -6.6013 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 25 2 0 0 0 0 5 28 1 0 0 0 0 5 63 1 0 0 0 0 6 28 2 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 22 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 28 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 36 2 0 0 0 0 34 60 1 0 0 0 0 35 37 2 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 M END > DB06510 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IRLWJILLXJGJTD-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1 > InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) > IRLWJILLXJGJTD-UHFFFAOYSA-N > C29H28N2O7 > 516.55 > 516.18965125 > 6 > 66 > 54.85324869081978 > 0 > 1 > 0 > 0 > 2-{[(4-methoxyphenoxy)carbonyl]({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino}acetic acid > 5.04 > 4.790607983333334 > -4.60 > 1 > 4 > -1 > 3.185523196585518 > 0.9306294815795827 > 111.33000000000001 > 149.0346 > 12 > 0 > 1.29e-02 g/l > muraglitazar > 0 $$$$