25204767 -OEChem-12152013033D 64 69 0 0 0 0 0 0 0999 V2000 -1.4002 -0.6501 2.0985 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 -3.0596 -1.8503 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -0.5322 1.4628 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 1.5429 -0.5056 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 -0.5342 0.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8399 1.6241 0.6476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 1.6661 -0.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 -1.5406 1.3688 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 -1.6199 0.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2402 1.7536 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8488 2.9687 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1012 2.2192 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4246 0.4713 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6654 2.3294 -1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2709 0.1539 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 3.2965 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 1.4274 -2.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 2.5714 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2737 0.7050 -1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 0.9677 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 -1.1084 0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3958 1.2914 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7872 -1.9147 0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -0.0606 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 2.2697 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -0.3923 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0241 0.5663 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 1.9230 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 -0.1286 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5874 -1.7744 0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 -2.8362 -0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.4707 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 -2.8919 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4847 -2.5558 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -3.6175 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 0.4179 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -3.4774 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6312 1.9154 -0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9552 3.9349 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0139 2.9011 1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1065 1.6587 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0496 2.6835 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 2.9231 -2.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 3.8819 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 3.9997 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 2.0476 -3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 0.6827 -2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 3.3278 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.9971 0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -0.0291 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 0.1673 -2.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2896 0.3126 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 1.7599 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 -0.8420 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 3.3195 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 2.7012 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5445 -2.3321 0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -2.8901 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -3.0132 -0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -3.7012 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 -2.4613 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 -4.3404 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 -4.0851 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 -0.1368 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 36 1 0 0 0 0 5 64 1 0 0 0 0 6 36 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 21 2 0 0 0 0 9 26 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 44 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 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 56 1 0 0 0 0 29 32 2 0 0 0 0 29 36 1 0 0 0 0 30 34 1 0 0 0 0 31 35 2 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 34 61 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 37 63 1 0 0 0 0 M END > DB16045 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RPVDFHPBGBMWID-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(C(O)=O)C2=C1C=C(C=C2)N1CCC(CC1)OCC1=C(ON=C1C1=C(Cl)C=CC=C1Cl)C1CC1 > InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35) > RPVDFHPBGBMWID-UHFFFAOYSA-N > C28H27Cl2N3O4 > 540.44 > 539.1378618 > 5 > 64 > -0.9971930634729668 > 55.80881480693344 > 1 > 1 > 0 > 0 > 6-(4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic acid > 6.42 > 4.889045017100705 > -4.55 > 1 > -1 > 6 > -1 > 3.4106958941483754 > 4.407579038078257 > 80.73 > 144.97299999999998 > 6 > 0 > 1.54e-02 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 $$$$