General Information of the Compound
| Compound ID |
CP0532892
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| Compound Name |
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H30F2N6O2
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| Molecular Weight |
532.595
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| Canonical SMILES |
Cc1c(N2CCN(CC2)c2ccccn2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
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| InChI |
InChI=1S/C29H30F2N6O2/c1-20-27(35-16-14-34(15-17-35)26-12-5-6-13-33-26)28(38)37(19-25(32)21-8-3-2-4-9-21)29(39)36(20)18-22-23(30)10-7-11-24(22)31/h2-13,25H,14-19,32H2,1H3/t25-/m0/s1
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| InChIKey |
CTYXPFLAOJFAIC-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