General Information of the Compound
| Compound ID |
CP0546946
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| Compound Name |
3-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pyrrole-2,5-dione
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| Structure |
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| Formula |
C18H11ClF4N4O3
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| Molecular Weight |
442.756
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| Canonical SMILES |
Fc1ccc(Oc2ncnc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H11ClF4N4O3/c19-13-14(16(29)26-15(13)28)27-4-3-9-11(6-27)24-7-25-17(9)30-12-2-1-8(20)5-10(12)18(21,22)23/h1-2,5,7H,3-4,6H2,(H,26,28,29)
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| InChIKey |
OCZQLQZPYCOVIK-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: PT06774, Short transient receptor potential channel 4
Protein ID: PT05452, Short transient receptor potential channel 5