null CDK 0224162205 null 39 42 0 0 0 0 0 0 0 0999 V2000 5.6736 2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 2.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9114 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 2.4469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2053 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -1.2656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 2.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 2.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6438 3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 4.0345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 3.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 4.7967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 4.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 5.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 5.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2708 6.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 6.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 7.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9067 6.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 5.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0932 5.0120 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -0.1362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1416 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4617 -0.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 -1.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 11 13 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 34 35 1 0 0 0 0 4 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:95550 > 2-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide > 2 > C28H29FN4O5S > 552.619 > 552.18427 > 0 > C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)[C@@H](C)CO > InChI=1S/C28H29FN4O5S/c1-19-16-33(20(2)18-34)28(35)23-13-22(11-10-21-7-6-12-30-14-21)15-31-27(23)38-25(19)17-32(3)39(36,37)26-9-5-4-8-24(26)29/h4-9,12-15,19-20,25,34H,16-18H2,1-3H3/t19-,20-,25-/m0/s1 > QUERDMQYNZTGQF-RLSLOFABSA-N > LSM-6929 $$$$