General Information of the Compound
| Compound ID |
CP0572151
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| Compound Name |
3-[10-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxydecoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C58H58N2O6
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| Molecular Weight |
879.11
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C58H58N2O6/c1-38-34-48-51(49(61)35-38)53-56(60(48)30-28-39-18-10-9-11-19-39)46-37-42(26-27-45(46)58(53)63)65-32-14-7-5-3-4-6-8-15-33-66-50-25-17-24-47-52(50)54-55(43-22-12-13-23-44(43)57(54)62)59(47)31-29-40-20-16-21-41(36-40)64-2/h9-13,16-27,36-38H,3-8,14-15,28-35H2,1-2H3
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| InChIKey |
NOBSUIWVNPVGPC-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