General Information of the Compound
| Compound ID |
CP0510304
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| Compound Name |
1-(2,6-Difluoro-benzyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-5-naphthalen-2-yl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H30F2N4O2
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| Molecular Weight |
540.614
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c(c(C)n(Cc2c(F)cccc2F)c1=O)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H30F2N4O2/c1-22-30(25-14-13-23-8-3-4-9-24(23)20-25)31(39)37(19-18-36(2)17-15-26-10-5-6-16-35-26)32(40)38(22)21-27-28(33)11-7-12-29(27)34/h3-14,16,20H,15,17-19,21H2,1-2H3
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| InChIKey |
AFCPJYKILBIDSA-UHFFFAOYSA-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