General Information of the Compound
| Compound ID |
CP0455435
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| Compound Name |
3-[(2R)-2-amino-2-(2-methoxyphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[[5-(trifluoromethyl)furan-2-yl]methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C31H32F5N5O4
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| Molecular Weight |
633.618
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| Canonical SMILES |
COc1ccccc1[C@@H](N)Cn1c(=O)c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(C)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C31H32F5N5O4/c1-19-28(39-14-12-38(13-15-39)16-20-10-11-27(45-20)31(34,35)36)29(42)41(18-25(37)21-6-3-4-9-26(21)44-2)30(43)40(19)17-22-23(32)7-5-8-24(22)33/h3-11,25H,12-18,37H2,1-2H3/t25-/m0/s1
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| InChIKey |
TVXNXBNDCWUTEC-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