General Information of the Compound
| Compound ID |
CP0557863
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| Compound Name |
7-methyl-3-[2-[[7-methyl-9,10-dioxo-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indol-3-yl]oxy]ethoxy]-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
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| Formula |
C50H44N2O6
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| Molecular Weight |
768.91
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| Canonical SMILES |
CC1Cc2c(c3C(=O)c4ccc(OCCOc5ccc6C(=O)c7c8c(CC(C)CC8=O)n(CCc8ccccc8)c7-c6c5)cc4-c3n2CCc2ccccc2)C(=O)C1
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| InChI |
InChI=1S/C50H44N2O6/c1-29-23-39-43(41(53)25-29)45-47(51(39)19-17-31-9-5-3-6-10-31)37-27-33(13-15-35(37)49(45)55)57-21-22-58-34-14-16-36-38(28-34)48-46(50(36)56)44-40(24-30(2)26-42(44)54)52(48)20-18-32-11-7-4-8-12-32/h3-16,27-30H,17-26H2,1-2H3
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| InChIKey |
OSMGMJWMSPTWKI-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