9891871 -OEChem-03102113373D 65 67 0 1 0 0 0 0 0999 V2000 -2.9109 -1.7366 -0.3546 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 -3.3457 -1.7385 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 -3.5689 0.3964 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7562 1.1350 1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4987 1.2455 0.8819 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 1.8403 -1.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5666 -1.3921 0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -1.2745 0.5571 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 2.4908 0.1306 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 0.1945 -2.8563 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2243 0.8359 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 2.0770 0.3904 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1678 -0.6414 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 0.3140 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 -1.1398 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9621 0.3243 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.6522 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 -1.0719 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 0.7934 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 -2.0926 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0549 -2.1532 1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 3.2622 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4446 0.0262 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 1.6060 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 0.8490 -1.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8592 0.1904 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8788 2.0354 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 0.9480 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3939 -0.3195 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 2.0381 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6533 -0.4967 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1075 1.8608 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5099 0.5935 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1879 -2.0824 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 -2.6928 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 1.0721 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4751 0.0131 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 1.8393 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 -1.0238 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 -2.0233 0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 -0.9398 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 1.5424 -1.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -2.6716 2.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -2.7477 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 3.4421 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 4.1531 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 3.0583 0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7955 3.5169 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5066 -0.1982 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 0.9860 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 1.6054 1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3433 0.5679 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8392 0.4456 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4395 -0.7272 0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0536 3.0468 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 2.0362 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 0.5159 -3.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -0.6208 -3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 1.3298 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 3.0298 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9842 -1.4794 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7755 2.7091 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4913 0.4553 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1552 -1.3980 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9222 -2.8687 -1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 26 1 0 0 0 0 5 59 1 0 0 0 0 6 25 2 0 0 0 0 7 29 1 0 0 0 0 7 34 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 45 1 0 0 0 0 10 25 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 22 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 39 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > DBMET03295 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VICSLOHTZDWOFF-QGZVFWFLSA-N/SDF?record_type=3d > C[C@H](CC1=CC2=C(N(CCCO)C=C2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F > InChI=1S/C25H30F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-7,10,14-15,17,30,32H,4,8-9,11-13,16H2,1H3,(H2,29,33)/t17-/m1/s1 > VICSLOHTZDWOFF-QGZVFWFLSA-N > C25H30F3N3O4 > 493.527 > 493.218840947 > 5 > 65 > 0.9971570376682461 > 49.74044475070236 > 1 > 3 > 0 > 0 > 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-1H-indole-7-carboxamide > 3.221241533666667 > 1 > 1 > 3 > 1 > 15.947437355906962 > 14.65949161919152 > 9.544993193219176 > 98.74 > 127.1646 > 14 > 1 > (2S,3S,4S,5R,6R)-6-(3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydroindol-1-yl}propoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 $$$$