General Information of the Compound
| Compound ID |
CP0557862
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| Compound Name |
3-[6-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxyhexoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C54H50N2O6
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| Molecular Weight |
823.002
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C54H50N2O6/c1-34-30-44-47(45(57)31-34)49-52(56(44)26-24-35-14-6-5-7-15-35)42-33-38(22-23-41(42)54(49)59)61-28-10-3-4-11-29-62-46-21-13-20-43-48(46)50-51(39-18-8-9-19-40(39)53(50)58)55(43)27-25-36-16-12-17-37(32-36)60-2/h5-9,12-23,32-34H,3-4,10-11,24-31H2,1-2H3
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| InChIKey |
ZAIDJPKYLGBLQG-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