General Information of the Compound
| Compound ID |
CP0571184
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| Compound Name |
5-[2-(3-methoxyphenyl)ethyl]-9-[2-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxyethoxy]indeno[1,2-b]indol-10-one
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| Formula |
C50H40N2O6
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| Molecular Weight |
764.878
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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| InChI |
InChI=1S/C50H40N2O6/c1-55-33-13-7-11-31(29-33)23-25-51-39-19-9-21-41(43(39)45-47(51)35-15-3-5-17-37(35)49(45)53)57-27-28-58-42-22-10-20-40-44(42)46-48(36-16-4-6-18-38(36)50(46)54)52(40)26-24-32-12-8-14-34(30-32)56-2/h3-22,29-30H,23-28H2,1-2H3
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| InChIKey |
BLPIQFGMMQDALL-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