71777 -OEChem-03141916513D 40 41 0 1 0 0 0 0 0999 V2000 2.7526 -2.7235 -0.2910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 2.8484 0.9245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0154 0.7290 -1.6496 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 0.8832 -1.5967 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3041 1.7844 0.1475 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3562 -0.9610 -0.0088 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -1.2976 1.1826 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 0.6931 1.0938 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8974 1.8764 -0.7601 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1184 -2.1199 0.5272 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 -0.1952 0.4076 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 -1.8632 -0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7476 -2.0860 -0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3033 0.3110 0.2203 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -0.1694 -0.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -0.0923 -0.8227 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0102 0.6109 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 -0.0844 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 0.2000 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1822 -0.4121 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.1799 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2811 1.1540 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 1.2968 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -1.0371 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 -0.6920 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9761 -0.1407 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 -0.8795 -0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0081 1.2299 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1376 -0.8028 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2016 1.9382 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3312 -0.0945 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3631 1.2759 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 -1.0109 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9074 2.0061 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -1.9273 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 1.2357 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 0.8088 0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2261 3.0051 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2355 -0.6103 0.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2924 1.8274 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 17 1 0 0 0 0 6 20 1 0 0 0 0 7 20 1 0 0 0 0 8 20 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 25 2 0 0 0 0 13 27 2 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 14 36 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 M END > DB11424 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PWPJGUXAGUPAHP-UHFFFAOYSA-N/SDF?record_type=3d > FC(C(F)(F)F)C(F)(F)OC1=C(Cl)C=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C(Cl)=C1 > InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31) > PWPJGUXAGUPAHP-UHFFFAOYSA-N > C17H8Cl2F8N2O3 > 511.15 > 509.9784228 > 3 > 40 > 37.67616679945087 > 0 > 2 > 0 > 0 > 1-[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea > 6.04 > 6.120007119666667 > -5.57 > 0 > 2 > 0 > 14.86775886726513 > 9.016853815163655 > -5.209059989541666 > 67.43 > 96.6253 > 6 > 0 > 1.39e-03 g/l > [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0^{1,10}.0^{2,6}.0^{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate > 0 $$$$