General Information of the Compound
| Compound ID |
CP0549129
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| Compound Name |
7-methyl-3-[10-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]decoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C58H60N2O6
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| Molecular Weight |
881.126
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCCCCCCCCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C58H60N2O6/c1-37-31-47-51(49(61)33-37)53-55(59(47)27-25-39-17-11-9-12-18-39)45-35-41(21-23-43(45)57(53)63)65-29-15-7-5-3-4-6-8-16-30-66-42-22-24-44-46(36-42)56-54(58(44)64)52-48(32-38(2)34-50(52)62)60(56)28-26-40-19-13-10-14-20-40/h9-14,17-24,35-38H,3-8,15-16,25-34H2,1-2H3
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| InChIKey |
XESRPLXJVRECBL-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