Cyclohexanecarboxamide, 4-[4-[4-[[(3S)-2,6-dioxo-3-piperidinyl]amino]-2-fluor...
C43H49F2N9O4
3063346-83-5 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
3063346-83-5

> <ca.index.name>
Cyclohexanecarboxamide, 4-[4-[4-[[(3S)-2,6-dioxo-3-piperidinyl]amino]-2-fluorophenyl]-1-piperazinyl]-N-[trans-4-[[5-fluoro-4-[3-(2-oxo-1(2H)-pyridinyl)phenyl]-2-pyrimidinyl]amino]cyclohexyl]-, trans-

> <molecular.formula>
C43H49F2N9O4

> <smiles.canonical>
O=C1C=CC=CN1C2=CC=CC(=C2)C3=NC(=NC=C3F)NC4CCC(NC(=O)C5CCC(N6CCN(C7=CC=C(C=C7F)NC8C(=O)NC(=O)CC8)CC6)CC5)CC4

> <smiles.isomeric>
FC=1C(C2=CC(=CC=C2)N3C(=O)C=CC=C3)=NC(N[C@@H]4CC[C@@H](NC(=O)[C@@H]5CC[C@H](CC5)N6CCN(CC6)C7=C(F)C=C(N[C@@H]8C(=O)NC(=O)CC8)C=C7)CC4)=NC1

> <molecular.weight>
793.91

> <density.predicted>
1.394±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.012±0.40    Most Acidic Temp: 25 °C

$$$$
