null CDK 0224162206 null 34 36 0 0 0 0 0 0 0 0999 V2000 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -3.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -3.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -4.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -2.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -0.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -0.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 -4.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9612 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 -4.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3434 -5.4355 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 2 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 25 28 1 0 0 0 0 12 29 1 0 0 0 0 29 30 2 0 0 0 0 30 10 1 0 0 0 0 4 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:96841 > 3-(4-fluorophenyl)-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea > 2 > C23H33FN6O4 > 476.545 > 476.25473 > 0 > C[C@H]1CN(C(=O)CCCN2C=C(CO[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)F)N=N2)[C@@H](C)CO > InChI=1S/C23H33FN6O4/c1-16-11-30(17(2)14-31)22(32)5-4-10-29-12-20(26-27-29)15-34-21(16)13-28(3)23(33)25-19-8-6-18(24)7-9-19/h6-9,12,16-17,21,31H,4-5,10-11,13-15H2,1-3H3,(H,25,33)/t16-,17-,21-/m0/s1 > IBNJZESYQXVKKB-FIKGOQFSSA-N > LSM-8220 $$$$