General Information of the Compound
| Compound ID |
CP0534782
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| Compound Name |
9-(Phenoxybutoxy)-9H-dibenzo[b,e]pyran
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| Structure |
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| Formula |
C23H22O3
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| Molecular Weight |
346.426
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| Canonical SMILES |
C(CCOc1ccccc1)COC1c2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C23H22O3/c1-2-10-18(11-3-1)24-16-8-9-17-25-23-19-12-4-6-14-21(19)26-22-15-7-5-13-20(22)23/h1-7,10-15,23H,8-9,16-17H2
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| InChIKey |
NEQUXLNOBLBJMF-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