General Information of the Compound
| Compound ID |
CP0568455
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| Compound Name |
3-[12-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxydodecoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C60H62N2O6
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| Molecular Weight |
907.164
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C60H62N2O6/c1-40-36-50-53(51(63)37-40)55-58(62(50)32-30-41-20-12-11-13-21-41)48-39-44(28-29-47(48)60(55)65)67-34-16-9-7-5-3-4-6-8-10-17-35-68-52-27-19-26-49-54(52)56-57(45-24-14-15-25-46(45)59(56)64)61(49)33-31-42-22-18-23-43(38-42)66-2/h11-15,18-29,38-40H,3-10,16-17,30-37H2,1-2H3
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| InChIKey |
AYSIVHURZRXBMW-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