General Information of the Compound
| Compound ID |
CP0548323
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| Compound Name |
2-[(3E)-2-methyl-3-[(3-methylphenyl)methylidene]inden-1-yl]acetic acid
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| Formula |
C20H18O2
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| Molecular Weight |
290.362
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| Canonical SMILES |
CC1=C(CC(O)=O)c2ccccc2\C1=C\c1cccc(C)c1
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| InChI |
InChI=1S/C20H18O2/c1-13-6-5-7-15(10-13)11-18-14(2)19(12-20(21)22)17-9-4-3-8-16(17)18/h3-11H,12H2,1-2H3,(H,21,22)/b18-11+
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| InChIKey |
GTUDIWRLBOQYGL-WOJGMQOQSA-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