General Information of the Compound
| Compound ID |
CP0549509
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| Compound Name |
3-[4-[[1-(4-chlorophenyl)-3-cyanopyrrol-2-yl]methoxy]-2,3-difluorophenyl]propanoic acid
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| Structure |
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| Formula |
C21H15ClF2N2O3
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| Molecular Weight |
416.811
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(ccn2-c2ccc(Cl)cc2)C#N)c(F)c1F
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| InChI |
InChI=1S/C21H15ClF2N2O3/c22-15-3-5-16(6-4-15)26-10-9-14(11-25)17(26)12-29-18-7-1-13(2-8-19(27)28)20(23)21(18)24/h1,3-7,9-10H,2,8,12H2,(H,27,28)
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| InChIKey |
PWVDJIIRDIZEBP-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