78210288 -OEChem-09132313313D 64 67 0 1 0 0 0 0 0999 V2000 -3.3018 3.2677 0.5349 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 3.5266 1.7508 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 4.8775 0.0813 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 2.6851 -1.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 -1.7566 1.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9082 -2.4715 -1.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 -2.2603 -2.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -1.9163 0.5601 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 -1.5212 1.8419 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 -0.5437 -0.9742 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 2.6772 -0.4268 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1980 1.2409 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 0.8181 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 3.0130 -0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 1.9052 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 -0.4611 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0048 3.6099 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 0.3915 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9788 -0.8973 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8425 4.1981 -0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 -0.9617 0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -1.3192 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 1.9793 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 -2.6024 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -1.6051 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 4.2724 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0116 3.1738 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 -0.9388 2.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9035 -2.9472 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -1.5992 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2021 -2.9149 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9948 -2.8399 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3003 -3.9930 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 -1.8078 -1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2399 -1.9555 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7967 -4.3236 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 0.7576 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 5.0481 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 -2.3319 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 1.1673 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 3.2847 -1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2782 -1.8535 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7294 5.1895 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 3.2550 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3782 -0.5223 3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -3.6494 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1027 -3.3416 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 -1.2337 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8387 -0.8799 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 -3.3169 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3825 -1.9062 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 -3.4903 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 -3.9228 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1197 -4.5740 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -4.5715 0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1798 -2.0079 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9096 -0.9138 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4564 -2.1867 0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0541 -4.7197 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6994 -4.3299 -1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0898 -5.0118 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7362 -2.4724 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -0.1605 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1383 0.0609 -1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 41 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 62 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 28 2 0 0 0 0 10 34 1 0 0 0 0 10 63 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 23 2 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 20 26 1 0 0 0 0 20 38 1 0 0 0 0 21 25 2 0 0 0 0 21 28 1 0 0 0 0 22 39 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > DB18174 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KNPYQCPWTWANOG-RUZDIDTESA-N/SDF?record_type=3d > CC(C)(O)CCOC1=CC2=C(C3=CC=CC=C3[C@]2(O)C(F)(F)F)C(=C1)C1=CN(N=C1)C(C)(C)C(N)=O > InChI=1S/C26H28F3N3O4/c1-23(2,34)9-10-36-16-11-18(15-13-31-32(14-15)24(3,4)22(30)33)21-17-7-5-6-8-19(17)25(35,20(21)12-16)26(27,28)29/h5-8,11-14,34-35H,9-10H2,1-4H3,(H2,30,33)/t25-/m1/s1 > KNPYQCPWTWANOG-RUZDIDTESA-N > C26H28F3N3O4 > 503.522 > 503.203190883 > 5 > 64 > 1.961369035571463 > 50.51647939045718 > 1 > 3 > 0 > 0 > 2-{4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)-9H-fluoren-4-yl]-1H-pyrazol-1-yl}-2-methylpropanamide > 3.061255524333333 > 1 > 0 > 4 > 0 > 15.162654667998527 > 10.059770822284499 > 2.1846765158875447 > 110.6 > 139.60710000000003 > 8 > 0 > 2-{4-[(9R)-9-hydroxy-2-(3-hydroxy-3-methylbutoxy)-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl}-2-methylpropanamide > 0 $$$$