24946920 -OEChem-10051722503D 76 79 0 0 0 0 0 0 0999 V2000 -0.7061 1.8964 -0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 2.1495 -2.3263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 -1.6524 1.2462 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 2.7082 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7951 -3.6313 3.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9622 4.8957 0.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0682 -0.8785 -1.9395 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4932 1.4196 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 -0.7993 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -2.1621 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 -2.1840 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2941 0.8413 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8571 -0.0343 -1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 -0.2422 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 -0.4603 -2.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0951 2.2114 2.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4957 0.3033 2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3297 2.4209 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 -0.0633 1.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 1.2041 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -0.6050 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 0.6624 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -3.3830 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 -3.3703 -2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -0.1121 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.3916 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -4.5776 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4167 -4.5690 -1.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9735 1.1523 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.0546 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 -0.7328 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 1.4743 -0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 0.5317 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1966 -2.6007 1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 3.7922 -1.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -3.0245 3.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 5.0616 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1506 -4.0296 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 6.0505 1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 0.3860 -3.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -1.2515 -3.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9724 2.6612 3.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6145 1.5680 3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 3.0181 2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3905 0.7291 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8172 -0.2846 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0518 -0.3902 2.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1917 2.8020 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 3.2904 0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 1.9406 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 -0.3624 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5854 1.9003 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 -1.3046 1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 0.9519 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2188 -3.4097 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 -3.3820 -2.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -5.5222 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -5.5088 -2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 1.8569 -2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 -2.0460 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1403 0.7828 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6027 2.8719 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1842 -2.1778 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -3.4699 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.9069 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 3.6258 -0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 -3.7365 3.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -2.1459 3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5672 5.9103 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 5.2536 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -4.4913 4.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -4.7642 4.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 -3.1616 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 5.8697 2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 6.9207 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 6.2437 1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 62 1 0 0 0 0 2 26 2 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 32 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 38 1 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 23 2 0 0 0 0 11 24 2 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 26 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 25 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 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 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 M END > DB12654 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OIDYMQICWGYEDR-UHFFFAOYSA-N/SDF?record_type=3d > COCCOC1=CC(OCCOC)=CC(CN2C3=CC=CC=C3C(=C2C(O)=O)C2=CC=C(C=C2)C(C)(C)C)=C1 > InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35) > OIDYMQICWGYEDR-UHFFFAOYSA-N > C32H37NO6 > 531.649 > 531.262087915 > 6 > 76 > 59.866179689389426 > 0 > 1 > 0 > 0 > 1-{[3,5-bis(2-methoxyethoxy)phenyl]methyl}-3-(4-tert-butylphenyl)-1H-indole-2-carboxylic acid > 5.77 > 6.380729108333334 > -6.61 > 1 > 4 > -1 > 4.693474071940752 > -3.7445297068940815 > 79.15000000000002 > 152.60299999999998 > 13 > 0 > 1.29e-04 g/l > 1-{[3,5-bis(2-methoxyethoxy)phenyl]methyl}-3-(4-tert-butylphenyl)indole-2-carboxylic acid > 0 $$$$