General Information of the Compound
| Compound ID |
CP0129110
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| Compound Name |
3-Phenyl-1H-naphtho[2,1-b]pyran-1-one
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| Structure |
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| Formula |
C19H12O2
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| Molecular Weight |
272.303
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| Canonical SMILES |
O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1
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| InChI |
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
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| InChIKey |
OUGIDAPQYNCXRA-UHFFFAOYSA-N
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| CAS |
6051-87-2
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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: PT02265, Aryl hydrocarbon receptor
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT06124, Paired box protein Pax-8