General Information of the Compound
| Compound ID |
CP0424609
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| Compound Name |
(3E)-5,7-dichloro-3-[[6-(dimethylamino)pyridin-3-yl]methylidene]chromen-4-one
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| Structure |
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| Formula |
C17H14Cl2N2O2
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| Molecular Weight |
349.217
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| Canonical SMILES |
CN(C)c1ccc(\C=C2/COc3cc(Cl)cc(Cl)c3C2=O)cn1
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| InChI |
InChI=1S/C17H14Cl2N2O2/c1-21(2)15-4-3-10(8-20-15)5-11-9-23-14-7-12(18)6-13(19)16(14)17(11)22/h3-8H,9H2,1-2H3/b11-5+
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| InChIKey |
LAPLVGZXNIUGFB-VZUCSPMQSA-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