General Information of the Compound
| Compound ID |
CP0491426
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| Compound Name |
5-[2-(3-methoxyphenyl)ethyl]-9-[8-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxyoctoxy]indeno[1,2-b]indol-10-one
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| Formula |
C56H52N2O6
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| Molecular Weight |
849.04
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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| InChI |
InChI=1S/C56H52N2O6/c1-61-39-19-13-17-37(35-39)29-31-57-45-25-15-27-47(49(45)51-53(57)41-21-7-9-23-43(41)55(51)59)63-33-11-5-3-4-6-12-34-64-48-28-16-26-46-50(48)52-54(42-22-8-10-24-44(42)56(52)60)58(46)32-30-38-18-14-20-40(36-38)62-2/h7-10,13-28,35-36H,3-6,11-12,29-34H2,1-2H3
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| InChIKey |
JDUVLAHOBRNUGQ-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