General Information of the Compound
| Compound ID |
CP0381100
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| Compound Name |
N-(1-adamantyl)-4-[4-[1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridin-3-yl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
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| Structure |
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| Formula |
C33H37F3N4O6S
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| Molecular Weight |
674.742
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| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(=O)(=O)CCCC(=O)NC23CC4CC(CC(C4)C2)C3)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C33H37F3N4O6S/c1-45-26-7-5-20(13-27(26)46-2)18-40-19-24(6-8-30(40)42)25-14-28(33(34,35)36)38-31(37-25)47(43,44)9-3-4-29(41)39-32-15-21-10-22(16-32)12-23(11-21)17-32/h5-8,13-14,19,21-23H,3-4,9-12,15-18H2,1-2H3,(H,39,41)
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| InChIKey |
GQVPWRCSKOKXLO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound