General Information of the Compound
| Compound ID |
CP0466814
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[[benzyl-[[1-[2-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C73H71N7O16
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| Molecular Weight |
1302.404
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN(Cc4cn(CCOCCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C73H71N7O16/c1-85-72(83)56-16-10-14-52(42-56)49-93-70-66(81)62-18-6-8-20-64(62)95-68(70)54-22-26-60(27-23-54)91-40-38-89-36-34-87-32-30-79-47-58(74-76-79)45-78(44-51-12-4-3-5-13-51)46-59-48-80(77-75-59)31-33-88-35-37-90-39-41-92-61-28-24-55(25-29-61)69-71(67(82)63-19-7-9-21-65(63)96-69)94-50-53-15-11-17-57(43-53)73(84)86-2/h3-29,42-43,47-48H,30-41,44-46,49-50H2,1-2H3
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| InChIKey |
JLQMCYYSZMKNHA-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