General Information of the Compound
| Compound ID |
CP0304584
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| Compound Name |
3-Methyl-2-[2-(5-nitro-furan-2-yl)-vinyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C15H11N3O4
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| Molecular Weight |
297.27
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| Canonical SMILES |
Cn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
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| InChI |
InChI=1S/C15H11N3O4/c1-17-13(8-6-10-7-9-14(22-10)18(20)21)16-12-5-3-2-4-11(12)15(17)19/h2-9H,1H3/b8-6+
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| InChIKey |
SBNIQRGKIQSRPT-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