5312125 -OEChem-10051720493D 67 69 0 1 0 0 0 0 0999 V2000 -1.3508 0.9461 -2.5613 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1286 -0.1944 -3.9626 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 0.2385 -1.9563 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -3.6093 -0.1542 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5987 -1.7081 1.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 -0.1873 1.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 -1.1825 -0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 0.1798 0.2675 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.5501 2.2989 0.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 -0.8840 3.2473 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 0.9161 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 0.8974 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 2.1908 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 2.3522 -0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -1.2461 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 2.7445 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 0.5505 1.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 3.1161 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 3.7097 1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 1.4705 1.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 3.6271 0.0025 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0033 -1.7412 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1206 -0.7472 1.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 3.8907 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1656 -3.2474 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 2.1722 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 0.7957 1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -1.4081 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 -1.9034 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4368 -2.1562 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 -3.1468 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7128 -3.3996 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 -3.8949 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -1.3570 -2.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 -0.0830 -2.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3151 0.8759 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 0.4522 -1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 2.9938 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5914 2.7523 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -1.7615 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 -1.5179 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4833 4.1010 -0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4193 4.7305 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 3.5959 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6427 1.1970 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 4.4018 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 -1.2285 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 -1.4999 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 2.1500 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2031 3.9254 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 4.8586 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 3.1232 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 -3.7893 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.5430 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 2.2970 2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2556 2.9308 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 0.6555 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 0.7077 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 -1.7688 3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -0.1138 3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 -4.5718 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0721 -1.7872 1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1937 -3.5840 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 -3.9837 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 -4.8663 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 -2.1775 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9746 -1.5711 -2.7904 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 25 1 0 0 0 0 4 61 1 0 0 0 0 5 23 2 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 23 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 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 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > DB06207 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PNCPYILNMDWPEY-QGZVFWFLSA-N/SDF?record_type=3d > C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F > InChI=1S/C25H32F3N3O4/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/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1 > PNCPYILNMDWPEY-QGZVFWFLSA-N > C25H32F3N3O4 > 495.5345 > 495.234491142 > 6 > 67 > 0.9983964059201642 > 49.8890970355622 > 1 > 3 > 0 > 0 > 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide > 2.96 > 3.04673584 > -4.65 > 1 > 1 > 3 > 1 > 15.971479711484157 > 14.865218691162719 > 9.658574499904068 > 97.05 > 128.9196 > 14 > 1 > 1.11e-02 g/l > biotin > 0 $$$$