General Information of the Compound
| Compound ID |
CP0571185
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| Compound Name |
7-methyl-3-[8-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]octoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C56H56N2O6
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| Molecular Weight |
853.072
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCCCCCCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C56H56N2O6/c1-35-29-45-49(47(59)31-35)51-53(57(45)25-23-37-15-9-7-10-16-37)43-33-39(19-21-41(43)55(51)61)63-27-13-5-3-4-6-14-28-64-40-20-22-42-44(34-40)54-52(56(42)62)50-46(30-36(2)32-48(50)60)58(54)26-24-38-17-11-8-12-18-38/h7-12,15-22,33-36H,3-6,13-14,23-32H2,1-2H3
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| InChIKey |
BFZIPDUJTCRPFH-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