General Information of the Compound
| Compound ID |
CP0472931
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| Compound Name |
1-[[5-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]-7-methylpurin-6-one
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| Structure |
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| Formula |
C17H15ClN6O2
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| Molecular Weight |
370.8
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| Canonical SMILES |
Cn1cnc2ncn(Cc3noc(CCc4ccc(Cl)cc4)n3)c(=O)c12
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| InChI |
InChI=1S/C17H15ClN6O2/c1-23-9-19-16-15(23)17(25)24(10-20-16)8-13-21-14(26-22-13)7-4-11-2-5-12(18)6-3-11/h2-3,5-6,9-10H,4,7-8H2,1H3
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| InChIKey |
CQQRVWPXVJWBRU-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1