15953832 -OEChem-09262214273D 68 72 0 1 0 0 0 0 0999 V2000 -5.2860 2.1112 -0.4499 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6826 -0.2248 -1.2196 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.3850 -1.1294 0.2805 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.1482 0.8983 0.5709 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5065 2.6678 0.5315 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 0.7727 1.5828 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8357 1.1415 -0.2866 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 2.0199 -1.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 3.3608 0.1123 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 1.4205 0.5706 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4003 0.8554 -0.1102 N 0 0 2 0 0 0 0 0 0 0 0 0 6.2692 -1.1226 -0.5699 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -0.0738 0.4927 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4591 -0.6806 -0.7186 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5031 -0.7937 1.6624 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3341 -2.1742 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -2.2480 1.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7222 -0.3564 0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -0.0421 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 -0.2204 2.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 -0.3619 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 -0.4473 1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4802 0.5830 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3298 -0.5348 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.7038 1.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6803 0.0277 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -0.8026 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4919 -0.8880 1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.9807 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8698 -1.5932 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5187 0.7506 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1285 -1.7675 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7147 -0.7531 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 0.9996 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 -1.3760 -1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 0.3184 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 1.3473 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 -0.5793 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1438 -0.7490 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4216 -2.6350 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 -2.7373 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -2.7851 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2999 -2.8039 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9531 -1.2539 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1157 -0.4915 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 1.7586 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.3708 -2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1841 1.0488 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -0.6696 3.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2143 0.8560 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1346 -0.1141 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7721 1.5143 -1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -0.4559 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 -0.7549 2.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -1.0666 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7754 -0.5876 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4811 1.2432 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -2.0287 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8783 -1.2574 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 -0.9295 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 2.0769 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 0.6251 1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 -1.3922 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 -2.8462 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6746 -2.4564 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -0.9828 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 0.7959 -1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 0.5146 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 37 1 0 0 0 0 6 37 1 0 0 0 0 7 37 1 0 0 0 0 10 13 1 0 0 0 0 10 46 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 12 32 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 27 2 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 37 1 0 0 0 0 31 57 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > DB17015 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NKHUILHBYOOZDF-NCOIWELASA-N/SDF?record_type=3d > [H]\C(CN1CCC(CC1)C(F)(F)F)=C(\[H])C1=CC2=C(C[C@]3([H])CC[C@]([H])(C2)[C@@]32CN(CC(F)(F)F)S(=O)(=O)N2)C=C1 > InChI=1S/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/m0/s1 > NKHUILHBYOOZDF-NCOIWELASA-N > C25H31F6N3O2S > 551.59 > 551.204117402 > 4 > 68 > 0.8712087139764187 > 51.90496825902557 > 1 > 1 > 0 > 0 > (1'R,3R,10'S)-5-(2,2,2-trifluoroethyl)-5'-[(1E)-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-en-1-yl]spiro[1lambda6,2,5-thiadiazolidine-3,13'-tricyclo[8.2.1.0^{3,8}]tridecane]-3'(8'),4',6'-triene-1,1-dione > 4.24 > 4.538204823383781 > -4.93 > 1 > 1 > 5 > 1 > 19.883087355556924 > 9.821681518157298 > 7.836154042713728 > 52.65 > 130.0026 > 6 > 0 > 6.46e-03 g/l > 6-cyclopropaneamido-N-[hydroxy(2H2)methyl]-4-{[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino}pyridazine-3-carboxamide > 0 $$$$