General Information of the Compound
| Compound ID |
CP0531015
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| Compound Name |
2-[7-[(3,5-dimethylphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
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| Structure |
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| Formula |
C22H22O5
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| Molecular Weight |
366.413
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| Canonical SMILES |
Cc1cc(C)cc(COc2ccc3c(C)c(CC(O)=O)c(=O)oc3c2C)c1
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| InChI |
InChI=1S/C22H22O5/c1-12-7-13(2)9-16(8-12)11-26-19-6-5-17-14(3)18(10-20(23)24)22(25)27-21(17)15(19)4/h5-9H,10-11H2,1-4H3,(H,23,24)
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| InChIKey |
QMMVVHBPGVDCQA-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