General Information of the Compound
| Compound ID |
CP0567776
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| Compound Name |
7-methyl-3-[6-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]hexoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C54H52N2O6
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| Molecular Weight |
825.018
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCCCCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C54H52N2O6/c1-33-27-43-47(45(57)29-33)49-51(55(43)23-21-35-13-7-5-8-14-35)41-31-37(17-19-39(41)53(49)59)61-25-11-3-4-12-26-62-38-18-20-40-42(32-38)52-50(54(40)60)48-44(28-34(2)30-46(48)58)56(52)24-22-36-15-9-6-10-16-36/h5-10,13-20,31-34H,3-4,11-12,21-30H2,1-2H3
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| InChIKey |
DBQDXLJJZCCVOT-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