25154249 -OEChem-09102016133D 59 62 0 1 0 0 0 0 0999 V2000 6.5353 -0.3050 -3.9597 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -2.0766 1.8956 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -2.4863 1.5559 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 -2.9810 0.0177 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8774 1.4750 2.0028 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3744 0.6535 0.6656 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 2.6071 0.2576 F 0 0 0 0 0 0 0 0 0 0 0 0 -10.3457 1.8907 0.4062 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.1746 1.7273 0.2879 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.4097 1.1816 -1.4309 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 0.2055 1.4213 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -0.4233 -1.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8185 -0.7016 1.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.2531 1.5012 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8508 -1.8286 0.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3546 -1.0973 -0.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -0.6972 0.3583 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4256 -0.6255 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3752 -0.2204 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 -0.2667 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7907 -2.0951 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0672 -0.3278 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 0.7863 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9282 0.3227 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 -0.4612 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 0.6057 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -1.6017 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1223 0.7177 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 -0.6838 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 -0.0663 -2.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 -1.7794 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 2.0756 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3104 0.5233 -1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1484 1.7198 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1984 1.3478 0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 3.1712 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1692 -0.9499 -0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 2.9936 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2311 -2.2096 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1333 -1.2429 0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4257 -0.2722 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3330 1.1419 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 -1.5651 -1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 0.1878 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 0.4681 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3475 -0.9396 -2.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0987 -2.4689 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.7798 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 2.2745 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 0.8331 -1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 1.6320 -0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 4.1640 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 3.8469 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3659 -2.2139 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4535 -2.2242 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3725 -3.2122 0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5232 -1.5939 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3686 -0.7293 0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3914 -0.2766 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 7 35 1 0 0 0 0 8 42 1 0 0 0 0 9 42 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 37 2 0 0 0 0 13 40 2 0 0 0 0 14 19 2 0 0 0 0 15 37 1 0 0 0 0 15 39 1 0 0 0 0 15 54 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 26 1 0 0 0 0 23 32 2 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 30 2 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 26 34 2 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 28 33 2 0 0 0 0 28 35 1 0 0 0 0 29 31 2 0 0 0 0 29 37 1 0 0 0 0 30 33 1 0 0 0 0 31 48 1 0 0 0 0 32 36 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 34 38 1 0 0 0 0 34 51 1 0 0 0 0 36 38 2 0 0 0 0 36 52 1 0 0 0 0 38 53 1 0 0 0 0 39 40 1 0 0 0 0 39 55 1 0 0 0 0 39 56 1 0 0 0 0 41 42 1 0 0 0 0 41 58 1 0 0 0 0 41 59 1 0 0 0 0 M END > DB11369 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OXDDDHGGRFRLEE-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)CNC(=O)CNC(=O)C1=C2C=CC=CC2=C(C=C1)C1=NOC(C1)(C1=CC(=CC(Cl)=C1)C(F)(F)F)C(F)(F)F > InChI=1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40) > OXDDDHGGRFRLEE-UHFFFAOYSA-N > C26H17ClF9N3O3 > 625.88 > 625.0814726 > 4 > 59 > -2.4805618796586044e-05 > 51.312579225356345 > 0 > 2 > 0 > 0 > 2-[(4-{5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl}naphthalen-1-yl)formamido]-N-(2,2,2-trifluoroethyl)acetamide > 5.26 > 5.915280012333334 > -5.80 > 1 > 0 > 4 > 0 > 15.164660139063715 > 11.571381816388833 > 1.3077382130496669 > 79.79 > 131.98500000000004 > 9 > 0 > 9.85e-04 g/l > unii-71TH42O2CQ > 0 $$$$