154623230 -OEChem-09152318143D 60 63 0 1 0 0 0 0 0999 V2000 -0.6954 -4.4814 -0.4392 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.6854 -3.9357 -1.0250 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 4.7843 -2.4372 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4272 5.1349 -1.1834 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4771 -0.7093 0.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 2.4366 1.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 4.2758 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 0.7234 0.4445 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -1.5908 -0.8424 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.3562 -0.5544 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 0.0373 1.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 1.7475 -0.0310 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -0.3542 1.3278 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3627 -1.6690 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 -2.3636 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 -1.7793 0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.1611 0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2938 -0.3777 2.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -0.5268 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5522 -2.2002 0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6861 -0.0754 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 -0.2929 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -3.5894 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5437 -3.4259 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -4.1205 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 1.2680 1.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -1.3891 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 0.3395 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6151 1.0252 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 -1.9972 -1.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 1.6979 1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 2.0310 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 -3.1807 -2.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 2.9424 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5874 2.0044 -1.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 0.9188 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 5.1750 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -0.0566 1.7032 H 1 0 0 0 0 0 0 0 0 0 0 0 -1.0262 -1.4446 2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 -2.5143 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3499 -0.5227 2.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9946 -1.1822 3.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 0.5691 3.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 -1.6751 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 0.5127 -0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 -5.0743 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 1.8174 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2683 -1.7608 -1.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 1.3565 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7234 2.5521 2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 -3.9997 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 -2.9171 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 -3.5412 -2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6258 2.5904 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 2.8778 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 1.2537 -2.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2897 2.7735 -2.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 2.4642 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2302 0.9586 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7292 6.1929 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 16 1 0 0 0 0 5 21 1 0 0 0 0 6 32 2 0 0 0 0 7 34 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 8 45 1 0 0 0 0 9 19 2 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 35 1 0 0 0 0 11 28 2 0 0 0 0 11 36 1 0 0 0 0 12 36 2 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 29 2 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 26 31 2 0 0 0 0 26 47 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 29 31 1 0 0 0 0 29 49 1 0 0 0 0 30 33 1 0 0 0 0 31 50 1 0 0 0 0 32 34 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 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 37 60 1 0 0 0 0 M ISO 1 38 2 M END > DB18303 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZTCLCSCHTACERP-WTDRUJNCSA-N/SDF?record_type=3d > [2H][C@@](C)(NC(=O)COC(F)F)C1=CC(F)=CC(Cl)=C1COC1=CC=CC2=C(C=C(C)N=C12)C1=NC=NN1C > InChI=1S/C25H23ClF3N5O3/c1-13-7-18(24-30-12-31-34(24)3)16-5-4-6-21(23(16)32-13)36-10-19-17(8-15(27)9-20(19)26)14(2)33-22(35)11-37-25(28)29/h4-9,12,14,25H,10-11H2,1-3H3,(H,33,35)/t14-/m1/s1/i14D > ZTCLCSCHTACERP-WTDRUJNCSA-N > C25H23ClF3N5O3 > 534.94 > 534.1504286 > 6 > 60 > 2.663581349845205 > 51.13964253681093 > 1 > 1 > 0 > 0 > N-[(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(1-methyl-1H-1,2,4-triazol-5-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2H)ethyl]-2-(difluoromethoxy)acetamide > 4.455756535 > 1 > 0 > 4 > 0 > 12.217313243379236 > 3.248723787903692 > 91.16 > 152.64520000000002 > 9 > 0 > N-[(1S)-1-[3-chloro-5-fluoro-2-({[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxy}methyl)phenyl](1-2H)ethyl]-2-(difluoromethoxy)acetamide > 0 $$$$