General Information of the Compound
| Compound ID |
CP0579871
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| Compound Name |
2-[[7-(4-chloro-2,5-dioxopyrrol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-5-fluorobenzonitrile
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| Structure |
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| Formula |
C18H11ClFN5O3
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| Molecular Weight |
399.769
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| Canonical SMILES |
Fc1ccc(Oc2ncnc3CN(CCc23)C2=C(Cl)C(=O)NC2=O)c(c1)C#N
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| InChI |
InChI=1S/C18H11ClFN5O3/c19-14-15(17(27)24-16(14)26)25-4-3-11-12(7-25)22-8-23-18(11)28-13-2-1-10(20)5-9(13)6-21/h1-2,5,8H,3-4,7H2,(H,24,26,27)
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| InChIKey |
VUZVRYQHEQHYFA-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