General Information of the Compound
| Compound ID |
CP0527630
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| Compound Name |
10-[3-(4-Benzyloxy-phenyl)-propionyl]-1,8-dihydroxy-10H-anthracen-9-one
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| Structure |
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| Formula |
C30H24O5
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| Molecular Weight |
464.517
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| Canonical SMILES |
Oc1cccc2C(C(=O)CCc3ccc(OCc4ccccc4)cc3)c3cccc(O)c3C(=O)c12
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| InChI |
InChI=1S/C30H24O5/c31-24-10-4-8-22-27(23-9-5-11-25(32)29(23)30(34)28(22)24)26(33)17-14-19-12-15-21(16-13-19)35-18-20-6-2-1-3-7-20/h1-13,15-16,27,31-32H,14,17-18H2
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| InChIKey |
DQYRWCQTZASFMX-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