General Information of the Compound
| Compound ID |
CP0536947
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| Compound Name |
4,5,4',5'-Tetrahydroxy-9H,9'H-[9,9']bianthracenyl-10,10'-dione
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| Structure |
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| Formula |
C28H18O6
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| Molecular Weight |
450.446
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| Canonical SMILES |
Oc1cccc2C(C3c4cccc(O)c4C(=O)c4c(O)cccc34)c3cccc(O)c3C(=O)c12
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| InChI |
InChI=1S/C28H18O6/c29-17-9-1-5-13-21(14-6-2-10-18(30)24(14)27(33)23(13)17)22-15-7-3-11-19(31)25(15)28(34)26-16(22)8-4-12-20(26)32/h1-12,21-22,29-32H
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| InChIKey |
VEBBCQINQQBIOM-UHFFFAOYSA-N
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| CAS |
31991-54-5
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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