General Information of the Compound
| Compound ID |
CP0468798
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-6-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H35F2N5O3
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| Molecular Weight |
575.66
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| Canonical SMILES |
COc1ccccc1CN1CCN(CC1)c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
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| InChI |
InChI=1S/C32H35F2N5O3/c1-22-30(37-17-15-36(16-18-37)19-24-11-6-7-14-29(24)42-2)31(40)39(21-28(35)23-9-4-3-5-10-23)32(41)38(22)20-25-26(33)12-8-13-27(25)34/h3-14,28H,15-21,35H2,1-2H3/t28-/m0/s1
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| InChIKey |
UBSAMTNESRWUSF-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