General Information of the Compound
| Compound ID |
CP0559948
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| Compound Name |
3-(4-chlorophenyl)-3-[methyl-[[3-methyl-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl]amino]propanoic acid
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| Structure |
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| Formula |
C25H28ClN3O5
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| Molecular Weight |
485.968
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| Canonical SMILES |
CN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H28ClN3O5/c1-17-14-18(16-28(3)21(15-24(31)32)19-5-7-20(26)8-6-19)4-9-22(17)34-13-12-29-23(30)10-11-27(2)25(29)33/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,31,32)
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| InChIKey |
HOVIHHVVNWVPOF-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