9890879 -OEChem-10051722473D 61 64 0 0 0 0 0 0 0999 V2000 2.5200 0.4572 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 -1.5253 0.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 0.8918 0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 -4.1149 -1.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 -3.6824 1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 0.4184 -0.5521 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 1.2898 -0.0724 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5751 -0.4779 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4339 -1.0541 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 -0.1105 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8799 0.3324 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -1.6595 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 1.5835 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 -0.2545 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 0.6075 0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1274 -1.9665 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 0.8262 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 1.9895 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0230 0.1563 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8082 1.7667 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 1.0216 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 1.3881 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 0.6431 -1.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -2.9484 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2252 -0.4277 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8313 1.8993 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9868 -0.7288 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3937 1.4397 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5916 -0.1713 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1978 2.1556 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -3.3256 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0779 1.1202 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 -0.3304 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 1.8380 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 0.9528 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2142 -1.4977 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5598 -0.9579 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 -1.0234 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 0.6174 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 -1.5166 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -2.1081 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 2.8453 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 2.2984 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 2.2012 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 0.8726 -2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 1.5326 2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0534 0.2159 -1.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -3.6553 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9624 -3.3824 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -2.8352 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8937 -1.4463 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1659 2.7200 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7386 -1.7367 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6601 2.1466 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2775 -0.9771 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5771 3.1608 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1419 1.3197 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0717 -1.0191 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 2.8372 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7305 1.2630 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 -4.9954 -0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 31 1 0 0 0 0 4 61 1 0 0 0 0 5 31 2 0 0 0 0 6 8 1 0 0 0 0 6 14 2 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 12 24 1 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 15 25 2 0 0 0 0 15 26 1 0 0 0 0 16 31 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 27 2 0 0 0 0 19 28 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 30 2 0 0 0 0 26 52 1 0 0 0 0 27 33 1 0 0 0 0 27 53 1 0 0 0 0 28 34 2 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 32 57 1 0 0 0 0 33 35 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 M END > DB12511 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ULVDFHLHKNJICZ-QCWLDUFUSA-N/SDF?record_type=3d > CC1=C(COC2=CC=C(CO\N=C(/CCC(O)=O)C3=CC=CC=C3)C=C2)N=C(O1)C1=CC=CC=C1 > InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+ > ULVDFHLHKNJICZ-QCWLDUFUSA-N > C28H26N2O5 > 470.525 > 470.184171945 > 6 > 61 > 52.465143680333654 > 0 > 1 > 0 > 0 > (4E)-4-[({4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methoxy)imino]-4-phenylbutanoic acid > 5.16 > 5.057862376946379 > -4.67 > 1 > 4 > -1 > 4.14743242927091 > 2.7332215448471735 > 94.15000000000002 > 141.78499999999997 > 11 > 0 > 1.01e-02 g/l > (4E)-4-[({4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methoxy)imino]-4-phenylbutanoic acid > 0 $$$$