General Information of the Compound
| Compound ID |
CP0459146
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| Compound Name |
3-(2',6'-Dimethylphenyl)-1H-naphtho[2,1-b]pyran-1-one
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| Structure |
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| Formula |
C21H16O2
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| Molecular Weight |
300.357
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| Canonical SMILES |
Cc1cccc(C)c1-c1cc(=O)c2c(ccc3ccccc23)o1
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| InChI |
InChI=1S/C21H16O2/c1-13-6-5-7-14(2)20(13)19-12-17(22)21-16-9-4-3-8-15(16)10-11-18(21)23-19/h3-12H,1-2H3
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| InChIKey |
ZPCAYLZYHOXXJR-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