General Information of the Compound
| Compound ID |
CP0401643
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| Compound Name |
1-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]-7-methylpurin-6-one
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| Structure |
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| Formula |
C18H15ClN6O2
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| Molecular Weight |
382.811
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| Canonical SMILES |
C\C(=C/c1nc(Cn2cnc3ncn(C)c3c2=O)no1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H15ClN6O2/c1-11(12-3-5-13(19)6-4-12)7-15-22-14(23-27-15)8-25-10-21-17-16(18(25)26)24(2)9-20-17/h3-7,9-10H,8H2,1-2H3/b11-7+
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| InChIKey |
GMKXACFKVYHBLC-YRNVUSSQSA-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1