General Information of the Compound
| Compound ID |
CP0391125
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| Compound Name |
3-[[5-[(E)-2-(4-chlorophenyl)prop-1-enyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C19H14ClN5O2
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| Molecular Weight |
379.807
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| Canonical SMILES |
C\C(=C/c1nc(Cn2cnc3ncccc3c2=O)no1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H14ClN5O2/c1-12(13-4-6-14(20)7-5-13)9-17-23-16(24-27-17)10-25-11-22-18-15(19(25)26)3-2-8-21-18/h2-9,11H,10H2,1H3/b12-9+
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| InChIKey |
IWTIXSBYEURJEK-FMIVXFBMSA-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