General Information of the Compound
| Compound ID |
CP0549130
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| Compound Name |
3-[8-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxyoctoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C56H54N2O6
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| Molecular Weight |
851.056
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C56H54N2O6/c1-36-32-46-49(47(59)33-36)51-54(58(46)28-26-37-16-8-7-9-17-37)44-35-40(24-25-43(44)56(51)61)63-30-12-5-3-4-6-13-31-64-48-23-15-22-45-50(48)52-53(41-20-10-11-21-42(41)55(52)60)57(45)29-27-38-18-14-19-39(34-38)62-2/h7-11,14-25,34-36H,3-6,12-13,26-33H2,1-2H3
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| InChIKey |
KMOSACJTLKQEJW-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