General Information of the Compound
| Compound ID |
CP0425044
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| Compound Name |
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pteridin-4-one
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| Structure |
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| Formula |
C17H13ClN6O2
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| Molecular Weight |
368.784
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| Canonical SMILES |
Clc1ccc(CCc2noc(Cn3cnc4nccnc4c3=O)n2)cc1
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| InChI |
InChI=1S/C17H13ClN6O2/c18-12-4-1-11(2-5-12)3-6-13-22-14(26-23-13)9-24-10-21-16-15(17(24)25)19-7-8-20-16/h1-2,4-5,7-8,10H,3,6,9H2
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| InChIKey |
NAOMZGKLBJKTAT-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