General Information of the Compound
| Compound ID |
CP0545936
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| Compound Name |
3-[(2R)-2-amino-2-(3-fluoro-5-methylphenyl)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 |
C31H31F6N5O3
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| Molecular Weight |
635.609
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| Canonical SMILES |
Cc1cc(F)cc(c1)[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/C31H31F6N5O3/c1-18-12-20(14-21(32)13-18)26(38)17-42-29(43)28(19(2)41(30(42)44)16-23-24(33)4-3-5-25(23)34)40-10-8-39(9-11-40)15-22-6-7-27(45-22)31(35,36)37/h3-7,12-14,26H,8-11,15-17,38H2,1-2H3/t26-/m0/s1
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| InChIKey |
GHLJLYYCAQSRHI-SANMLTNESA-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