General Information of the Compound
| Compound ID |
CP0239455
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| Compound Name |
3-(4,8-dimethyl-2-oxo-7-phenylmethoxychromen-3-yl)propanoic acid
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| Structure |
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| Formula |
C21H20O5
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| Molecular Weight |
352.386
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| Canonical SMILES |
Cc1c(OCc2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C21H20O5/c1-13-16-8-10-18(25-12-15-6-4-3-5-7-15)14(2)20(16)26-21(24)17(13)9-11-19(22)23/h3-8,10H,9,11-12H2,1-2H3,(H,22,23)
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| InChIKey |
NATYKOYUMSKHQE-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