General Information of the Compound
| Compound ID |
CP0242117
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| Compound Name |
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one
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| Structure |
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| Formula |
C17H15N3O5
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| Molecular Weight |
341.323
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| Canonical SMILES |
OCCCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
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| InChI |
InChI=1S/C17H15N3O5/c21-11-3-10-19-15(8-6-12-7-9-16(25-12)20(23)24)18-14-5-2-1-4-13(14)17(19)22/h1-2,4-9,21H,3,10-11H2/b8-6+
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| InChIKey |
PPWMMWQBJRDQFH-SOFGYWHQSA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3