5311027 -OEChem-02051917483D 67 68 0 1 0 0 0 0 0999 V2000 -5.2190 1.6463 -1.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1643 -1.1752 0.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8815 -4.4202 1.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 2.5762 -0.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4726 1.3063 1.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 1.1445 -0.0066 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8968 -0.3233 0.1417 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7922 1.8462 -0.3116 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2464 -0.2386 0.8765 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7733 1.1891 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4044 1.3592 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -1.1672 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 2.8120 -1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 -2.2670 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -3.1118 1.1153 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0675 3.4149 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0173 -3.2109 0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 2.7105 0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.9473 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 2.7968 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1056 -2.0143 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 2.0212 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2839 -2.5202 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -1.5708 -1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 2.0217 0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4433 -2.5823 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 -1.6331 -2.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -2.1390 -1.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 1.1271 1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6711 2.3492 1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 1.5091 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0645 -0.7541 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 2.9258 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 -0.4493 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7352 1.7231 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8038 1.2081 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 1.0016 -2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 0.7472 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6388 -0.8528 1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0826 2.0818 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0064 -1.0729 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 3.4049 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5987 -2.5866 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 -2.7191 2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 4.4767 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -4.0623 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -3.4640 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4445 1.6665 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 3.2085 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2713 -1.0700 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -1.7583 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.3981 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6124 3.8464 -0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -4.8158 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 2.4507 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8895 0.9777 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -2.8695 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -1.1752 -2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3609 -2.9753 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 -1.2875 -3.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 0.8849 2.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 -2.1867 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0863 0.9226 0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 0.2504 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 3.2334 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 2.5715 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7455 2.1852 1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 40 1 0 0 0 0 2 9 1 0 0 0 0 2 41 1 0 0 0 0 3 15 1 0 0 0 0 3 54 1 0 0 0 0 4 25 2 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 5 61 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 39 1 0 0 0 0 13 16 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 27 2 0 0 0 0 24 58 1 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 M END > DB00905 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AQOKCDNYWBIDND-FTOWTWDKSA-N/SDF?record_type=3d > CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1 > InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1 > AQOKCDNYWBIDND-FTOWTWDKSA-N > C25H37NO4 > 415.5656 > 415.272258677 > 4 > 67 > 48.240213082151996 > 1 > 4 > 0 > 1 > (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]-N-ethylhept-5-enamide > 3.41 > 2.629262466666666 > -4.35 > 0 > 2 > 0 > 14.850948591893511 > 14.34702039391217 > -1.2597020031487451 > 89.78999999999999 > 122.8312 > 12 > 1 > 1.87e-02 g/l > 3-({3-[(isopropyl-C-hydroxycarbonimidoyl)aminosulfonyl]-1H-pyridin-4-ylidene}amino)benzoic acid > 0 $$$$