General Information of the Compound
| Compound ID |
CP0951243
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| Compound Name |
2-[7-[(4-tert-butylphenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]acetic acid
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| Structure |
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| Formula |
C24H26O5
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| Molecular Weight |
394.467
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| Canonical SMILES |
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(C)(C)C)cc3)ccc12
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| InChI |
InChI=1S/C24H26O5/c1-14-18-10-11-20(15(2)22(18)29-23(27)19(14)12-21(25)26)28-13-16-6-8-17(9-7-16)24(3,4)5/h6-11H,12-13H2,1-5H3,(H,25,26)
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| InChIKey |
IRPOXEWPNXKWBH-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