General Information of the Compound
| Compound ID |
CP0509261
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| Compound Name |
3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H13ClFN5O2
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| Molecular Weight |
385.786
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| Canonical SMILES |
FC(Cc1noc(Cn2cnc3ncccc3c2=O)n1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2
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| InChIKey |
PJMMWANXHNLCLA-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