General Information of the Compound
| Compound ID |
CP0951054
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| Compound Name |
2-[7-[(3,4-dichlorophenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]acetic acid
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| Structure |
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| Formula |
C20H16Cl2O5
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| Molecular Weight |
407.249
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| Canonical SMILES |
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cc(Cl)cc(Cl)c3)ccc12
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| InChI |
InChI=1S/C20H16Cl2O5/c1-10-15-3-4-17(26-9-12-5-13(21)7-14(22)6-12)11(2)19(15)27-20(25)16(10)8-18(23)24/h3-7H,8-9H2,1-2H3,(H,23,24)
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| InChIKey |
MAJPNMPXRUEVRM-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