General Information of the Compound
| Compound ID |
CP0953933
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| Compound Name |
(E)-7-hydroxy-2-(4-hydroxybenzylidene)-2,3-dihydro-1H-inden-1-one
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| Structure |
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| Formula |
C16H12O3
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| Molecular Weight |
252.269
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| Canonical SMILES |
O=C1/C(=C/c2ccc(O)cc2)Cc2cccc(O)c21
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| InChI |
InChI=1S/C16H12O3/c17-13-6-4-10(5-7-13)8-12-9-11-2-1-3-14(18)15(11)16(12)19/h1-8,17-18H,9H2/b12-8+
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| InChIKey |
RRBGGIYQNPKKDV-XYOKQWHBSA-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