General Information of the Compound
| Compound ID |
CP0563547
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| Compound Name |
3-[2-[5-[2-(3-methoxyphenyl)ethyl]-10-oxoindeno[1,2-b]indol-9-yl]oxyethoxy]-7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C50H42N2O6
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| Molecular Weight |
766.894
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| Canonical SMILES |
COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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| InChI |
InChI=1S/C50H42N2O6/c1-30-26-40-43(41(53)27-30)45-48(52(40)22-20-31-10-4-3-5-11-31)38-29-34(18-19-37(38)50(45)55)57-24-25-58-42-17-9-16-39-44(42)46-47(35-14-6-7-15-36(35)49(46)54)51(39)23-21-32-12-8-13-33(28-32)56-2/h3-19,28-30H,20-27H2,1-2H3
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| InChIKey |
YBCGVBOCQHVWKC-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