General Information of the Compound
| Compound ID |
CP0476948
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| Compound Name |
3-[2-amino-2-(3-methylphenyl)ethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C32H34F2N6O4
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| Molecular Weight |
604.658
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| Canonical SMILES |
Cc1cccc(c1)C(N)Cn1c(=O)c(N2CCN(Cc3cccc(c3)[N+]([O-])=O)CC2)c(C)n(Cc2c(F)cccc2F)c1=O
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| InChI |
InChI=1S/C32H34F2N6O4/c1-21-6-3-8-24(16-21)29(35)20-39-31(41)30(22(2)38(32(39)42)19-26-27(33)10-5-11-28(26)34)37-14-12-36(13-15-37)18-23-7-4-9-25(17-23)40(43)44/h3-11,16-17,29H,12-15,18-20,35H2,1-2H3
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| InChIKey |
VIUYGUCEVAPVHE-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