General Information of the Compound
| Compound ID |
CP0568987
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| Compound Name |
5-[2-(3-methoxyphenyl)ethyl]-9-[10-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxydecoxy]indeno[1,2-b]indol-10-one
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| Formula |
C58H56N2O6
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| Molecular Weight |
877.094
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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| InChI |
InChI=1S/C58H56N2O6/c1-63-41-21-15-19-39(37-41)31-33-59-47-27-17-29-49(51(47)53-55(59)43-23-9-11-25-45(43)57(53)61)65-35-13-7-5-3-4-6-8-14-36-66-50-30-18-28-48-52(50)54-56(44-24-10-12-26-46(44)58(54)62)60(48)34-32-40-20-16-22-42(38-40)64-2/h9-12,15-30,37-38H,3-8,13-14,31-36H2,1-2H3
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| InChIKey |
OBHNEKNNUZAFTM-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