General Information of the Compound
| Compound ID |
CP0535566
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| Compound Name |
(3E)-3-[(2-aminopyrimidin-5-yl)methylidene]chromen-4-one
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| Structure |
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| Formula |
C14H11N3O2
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| Molecular Weight |
253.261
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| Canonical SMILES |
Nc1ncc(\C=C2/COc3ccccc3C2=O)cn1
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| InChI |
InChI=1S/C14H11N3O2/c15-14-16-6-9(7-17-14)5-10-8-19-12-4-2-1-3-11(12)13(10)18/h1-7H,8H2,(H2,15,16,17)/b10-5+
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| InChIKey |
CSEIYAXDQGWMCR-BJMVGYQFSA-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