null CDK 0225161915 null 30 34 0 0 0 0 0 0 0 0999 V2000 1.2182 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 0.8316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1409 0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3761 -0.5973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2061 0.1193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -1.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -2.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8293 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9259 0.1727 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 0.5862 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 -0.9183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -0.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 0.1023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 -0.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 -0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 0.1817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7314 0.8812 0.0000 C 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 2 1 0 0 0 0 5 6 1 0 0 0 0 6 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 4 17 1 1 0 0 0 17 18 1 0 0 0 0 18 1 1 0 0 0 0 3 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 M END > CHEBI:127958 > (1R,5S)-7-(4-pyridin-4-ylphenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane > 2 > C24H22F3N3 > 409.448 > 409.17658 > 0 > C1[C@@H]2C([C@@H](N2CC3=CC=CC=C3C(F)(F)F)CN1)C4=CC=C(C=C4)C5=CC=NC=C5 > InChI=1S/C24H22F3N3/c25-24(26,27)20-4-2-1-3-19(20)15-30-21-13-29-14-22(30)23(21)18-7-5-16(6-8-18)17-9-11-28-12-10-17/h1-12,21-23,29H,13-15H2/t21-,22+,23? > JNUFHWRNTAJLAP-AIZNXBIQSA-N > LSM-39514 $$$$