General Information of the Compound
| Compound ID |
CP0452501
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| Compound Name |
3-[4-[2-(2-chloropyrimidin-4-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C15H11ClN2O2
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| Molecular Weight |
286.718
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)n1
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| InChI |
InChI=1S/C15H11ClN2O2/c16-15-17-10-9-13(18-15)7-5-11-1-3-12(4-2-11)6-8-14(19)20/h1-4,9-10H,6,8H2,(H,19,20)
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| InChIKey |
WOYQYFYAHJQHMC-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