445306 -OEChem-12141915273D 88 93 0 1 0 0 0 0 0999 V2000 -3.0908 5.0573 -0.0913 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -5.0538 -0.0521 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 3.6960 -2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -3.6729 -2.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0659 1.9350 0.7207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 -1.9288 0.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 1.1976 3.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -1.2027 3.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1123 3.6717 1.4989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 -3.6865 1.5506 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 2.4640 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -2.4739 0.3014 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4662 3.4549 0.2433 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4590 -3.4669 0.2531 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3990 4.4052 -0.9725 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3685 -4.3996 -0.9749 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8388 4.8940 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8027 -4.8884 -1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 2.8951 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8445 -2.9085 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 3.7209 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -3.7245 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 0.4703 1.9715 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6039 -0.4540 1.9747 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7287 1.4544 0.7970 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7187 -1.4622 0.8193 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2130 2.6525 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2158 -2.6641 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 1.7750 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4071 -1.7986 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9676 3.4411 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9395 -3.4446 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 1.4783 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7462 -1.5017 0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5218 2.3050 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5067 -2.3184 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 2.3608 -0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 -2.3739 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 2.8551 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7853 -2.8533 -0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 4.1980 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0807 -4.1886 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8491 1.9685 -0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 -1.9603 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4026 4.6541 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 -4.6308 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1671 2.4248 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1352 -2.4026 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 3.7674 -0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4305 -3.7378 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 4.0427 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -4.0677 1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 5.2303 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 -5.2252 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 5.7712 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 5.0972 -2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 -5.0770 -2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -5.7748 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 -0.1471 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5087 0.1634 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5907 1.5942 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -1.6013 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 0.9095 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -0.9344 -0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 1.1398 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 -1.1714 1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5728 4.0854 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5321 -4.0812 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 4.3282 -2.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -4.2943 -2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 0.6034 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2077 -0.6346 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 2.0608 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5487 -2.0743 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 1.7623 3.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 -1.7366 3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 3.1560 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 1.5254 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -3.1816 -0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -1.5514 -1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6443 0.9224 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -0.9197 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6179 5.6996 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -5.6704 -0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9776 1.7343 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9346 -1.7073 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4703 4.1227 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4602 -4.0822 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 3 15 1 0 0 0 0 3 69 1 0 0 0 0 4 16 1 0 0 0 0 4 70 1 0 0 0 0 5 25 1 0 0 0 0 5 37 1 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 7 23 1 0 0 0 0 7 75 1 0 0 0 0 8 24 1 0 0 0 0 8 76 1 0 0 0 0 9 27 2 0 0 0 0 10 28 2 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 61 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 62 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 21 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 22 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 21 1 0 0 0 0 19 29 2 0 0 0 0 20 22 1 0 0 0 0 20 30 2 0 0 0 0 21 31 2 0 0 0 0 22 32 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 29 33 1 0 0 0 0 29 65 1 0 0 0 0 30 34 1 0 0 0 0 30 66 1 0 0 0 0 31 35 1 0 0 0 0 31 67 1 0 0 0 0 32 36 1 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 36 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 43 2 0 0 0 0 40 42 1 0 0 0 0 40 44 2 0 0 0 0 41 45 2 0 0 0 0 42 46 2 0 0 0 0 43 47 1 0 0 0 0 43 81 1 0 0 0 0 44 48 1 0 0 0 0 44 82 1 0 0 0 0 45 49 1 0 0 0 0 45 83 1 0 0 0 0 46 50 1 0 0 0 0 46 84 1 0 0 0 0 47 49 2 0 0 0 0 47 85 1 0 0 0 0 48 50 2 0 0 0 0 48 86 1 0 0 0 0 49 87 1 0 0 0 0 50 88 1 0 0 0 0 M END > DB02629 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LYHLPPXMBKMSSZ-JQFCFGFHSA-N/SDF?record_type=3d > O[C@H]([C@@H](O)[C@@H](OCC1=C(F)C=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1F)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2 > InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 > LYHLPPXMBKMSSZ-JQFCFGFHSA-N > C38H38F2N2O8 > 688.7137 > 688.259622612 > 8 > 88 > -4.157066126280845e-05 > 70.01460910486863 > 0 > 6 > 0 > 0 > (2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide > 2.72 > 3.1521877493333332 > -4.39 > 1 > 0 > 6 > 0 > 12.125390213894399 > 11.597060362169643 > -3.0745269468515346 > 157.57999999999998 > 177.84639999999993 > 13 > 0 > 2.82e-02 g/l > 2-[(1'S,2'S,4'R,8'S,9'S,11'S,12'R,13'S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl-16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate > 0 $$$$