General Information of the Compound
| Compound ID |
CP0045448
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| Compound Name |
3-arylquinazolinone, 1al
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| Structure |
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| Formula |
C13H9N3O4
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| Molecular Weight |
271.232
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| Canonical SMILES |
Oc1cc(O)c2c(c1)ncn(-c1ccc(=O)[nH]c1)c2=O
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| InChI |
InChI=1S/C13H9N3O4/c17-8-3-9-12(10(18)4-8)13(20)16(6-15-9)7-1-2-11(19)14-5-7/h1-6,17-18H,(H,14,19)
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| InChIKey |
XKFWSLXLSOZPJJ-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