General Information of the Compound
| Compound ID |
CP0428511
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| Compound Name |
5,8-Dimethoxy-4-(4-phenoxybutoxy)psoralen
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| Structure |
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| Formula |
C23H22O7
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| Molecular Weight |
410.422
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| Canonical SMILES |
COc1c2occc2c(OC)c2c(OCCCCOc3ccccc3)cc(=O)oc12
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| InChI |
InChI=1S/C23H22O7/c1-25-20-16-10-13-29-21(16)23(26-2)22-19(20)17(14-18(24)30-22)28-12-7-6-11-27-15-8-4-3-5-9-15/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3
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| InChIKey |
YJSFGKLFCJHZPF-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