General Information of the Compound
| Compound ID |
CP0401024
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| Compound Name |
3-(4-chloro-3-fluorophenyl)-3-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-3-methylphenyl]methyl-(2-methylpropyl)amino]propanoic acid
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| Structure |
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| Formula |
C27H32ClFN2O5
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| Molecular Weight |
519.013
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| Canonical SMILES |
CC(C)CN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(O)=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C27H32ClFN2O5/c1-17(2)15-30(23(14-27(34)35)20-5-6-21(28)22(29)13-20)16-19-4-7-24(18(3)12-19)36-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,34,35)
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| InChIKey |
MRFUPQLMYRTEEA-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