General Information of the Compound
| Compound ID |
CP0430124
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| Compound Name |
1-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-3-carboxylic acid
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| Structure |
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| Formula |
C18H16O3
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| Molecular Weight |
280.323
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| Canonical SMILES |
Cc1c(O)ccc-2c1CCc1c(C=C)cc(cc-21)C(O)=O
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| InChI |
InChI=1S/C18H16O3/c1-3-11-8-12(18(20)21)9-16-14(11)5-4-13-10(2)17(19)7-6-15(13)16/h3,6-9,19H,1,4-5H2,2H3,(H,20,21)
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| InChIKey |
QCLRWEPKGXPRKB-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