General Information of the Compound
| Compound ID |
CP0563545
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| Compound Name |
7-methyl-3-[12-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]dodecoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C60H64N2O6
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| Molecular Weight |
909.18
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCCCCCCCCCCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C60H64N2O6/c1-39-33-49-53(51(63)35-39)55-57(61(49)29-27-41-19-13-11-14-20-41)47-37-43(23-25-45(47)59(55)65)67-31-17-9-7-5-3-4-6-8-10-18-32-68-44-24-26-46-48(38-44)58-56(60(46)66)54-50(34-40(2)36-52(54)64)62(58)30-28-42-21-15-12-16-22-42/h11-16,19-26,37-40H,3-10,17-18,27-36H2,1-2H3
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| InChIKey |
VRDZGRIXWNAYGL-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