General Information of the Compound
| Compound ID |
CP0544149
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| Compound Name |
5-[2-(3-methoxyphenyl)ethyl]-9-[4-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxybutoxy]indeno[1,2-b]indol-10-one
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| Formula |
C52H44N2O6
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| Molecular Weight |
792.932
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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| InChI |
InChI=1S/C52H44N2O6/c1-57-35-15-9-13-33(31-35)25-27-53-41-21-11-23-43(45(41)47-49(53)37-17-3-5-19-39(37)51(47)55)59-29-7-8-30-60-44-24-12-22-42-46(44)48-50(38-18-4-6-20-40(38)52(48)56)54(42)28-26-34-14-10-16-36(32-34)58-2/h3-6,9-24,31-32H,7-8,25-30H2,1-2H3
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| InChIKey |
CRWOJYZPWVKILL-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