null CDK 0225161911 null 32 36 0 0 0 0 0 0 0 0999 V2000 -6.2349 -1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -1.2519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5437 0.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8401 -1.9664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 18 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 21 25 1 0 0 0 0 25 26 2 0 0 0 0 25 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 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 M END > CHEBI:125056 > N,N-dimethyl-3-[4-[(1S,5R)-3-[oxo(2-pyrazinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide > 2 > C25H25N5O2 > 427.499 > 427.20083 > 0 > CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=NC=CN=C5 > InChI=1S/C25H25N5O2/c1-29(2)24(31)19-5-3-4-18(12-19)16-6-8-17(9-7-16)23-21-14-30(15-22(23)28-21)25(32)20-13-26-10-11-27-20/h3-13,21-23,28H,14-15H2,1-2H3/t21-,22+,23? > IETFXVATRVQQOP-AIZNXBIQSA-N > LSM-36518 $$$$