General Information of the Compound
| Compound ID |
CP0439518
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(3-methoxyphenyl)-1,3,5-triazinane-2,4-dione
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| Structure |
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| Formula |
C25H24F2N4O3
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| Molecular Weight |
466.488
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| Canonical SMILES |
COc1cccc(c1)N1CN(Cc2c(F)cccc2F)C(=O)N(C[C@H](N)c2ccccc2)C1=O
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| InChI |
InChI=1S/C25H24F2N4O3/c1-34-19-10-5-9-18(13-19)31-16-29(14-20-21(26)11-6-12-22(20)27)24(32)30(25(31)33)15-23(28)17-7-3-2-4-8-17/h2-13,23H,14-16,28H2,1H3/t23-/m0/s1
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| InChIKey |
AQRXSPRQFWKMBM-QHCPKHFHSA-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