General Information of the Compound
| Compound ID |
CP0437298
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[4-[1-[2-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C70H64N6O16
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| Molecular Weight |
1245.308
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3ccc(cc3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1
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| InChI |
InChI=1S/C70H64N6O16/c1-81-69(79)53-11-7-9-47(41-53)45-89-67-63(77)57-13-3-5-15-61(57)91-65(67)51-21-25-55(26-22-51)87-39-37-85-35-33-83-31-29-75-43-59(71-73-75)49-17-19-50(20-18-49)60-44-76(74-72-60)30-32-84-34-36-86-38-40-88-56-27-23-52(24-28-56)66-68(64(78)58-14-4-6-16-62(58)92-66)90-46-48-10-8-12-54(42-48)70(80)82-2/h3-28,41-44H,29-40,45-46H2,1-2H3
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| InChIKey |
RIOHEKHDEXVZMU-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