General Information of the Compound
| Compound ID |
CP0561527
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-5-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C30H30ClF4N5O3
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| Molecular Weight |
620.047
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| Canonical SMILES |
Cc1c(N2CCN(Cc3ccc(Cl)o3)CC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
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| InChI |
InChI=1S/C30H30ClF4N5O3/c1-19-27(38-14-12-37(13-15-38)16-21-10-11-26(31)43-21)28(41)40(18-25(36)20-6-3-2-4-7-20)29(42)39(19)17-22-23(30(33,34)35)8-5-9-24(22)32/h2-11,25H,12-18,36H2,1H3/t25-/m0/s1
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| InChIKey |
XYFHWMKYZXDHOH-VWLOTQADSA-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