General Information of the Compound
| Compound ID |
CP0407695
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| Compound Name |
8-(4-Phenoxybutoxy)psoralen
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| Structure |
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| Formula |
C21H18O5
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| Molecular Weight |
350.37
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| Canonical SMILES |
O=c1ccc2cc3ccoc3c(OCCCCOc3ccccc3)c2o1
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| InChI |
InChI=1S/C21H18O5/c22-18-9-8-15-14-16-10-13-25-19(16)21(20(15)26-18)24-12-5-4-11-23-17-6-2-1-3-7-17/h1-3,6-10,13-14H,4-5,11-12H2
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| InChIKey |
FIJVWSMVTCDFJN-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