General Information of the Compound
| Compound ID |
CP0495253
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| Compound Name |
2-(4,8-dimethyl-2-oxo-7-pentoxychromen-3-yl)acetic acid
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| Structure |
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| Formula |
C18H22O5
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| Molecular Weight |
318.369
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| Canonical SMILES |
CCCCCOc1ccc2c(C)c(CC(O)=O)c(=O)oc2c1C
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| InChI |
InChI=1S/C18H22O5/c1-4-5-6-9-22-15-8-7-13-11(2)14(10-16(19)20)18(21)23-17(13)12(15)3/h7-8H,4-6,9-10H2,1-3H3,(H,19,20)
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| InChIKey |
JHMCHWQMFFVUES-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