General Information of the Compound
| Compound ID |
CP0463544
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-5-[4-[(2-methylpyridin-3-yl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H34F4N6O2
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| Molecular Weight |
610.656
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| Canonical SMILES |
Cc1ncccc1CN1CCN(CC1)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C32H34F4N6O2/c1-21-24(10-7-13-38-21)18-39-14-16-40(17-15-39)29-22(2)41(19-25-26(32(34,35)36)11-6-12-27(25)33)31(44)42(30(29)43)20-28(37)23-8-4-3-5-9-23/h3-13,28H,14-20,37H2,1-2H3/t28-/m0/s1
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| InChIKey |
MTUPGJQHSBTODA-NDEPHWFRSA-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