General Information of the Compound
| Compound ID |
CP0565430
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| Compound Name |
N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-4-[4-[[1-[2-[2-[2-[2-[2-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
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| Formula |
C74H92N10O8
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| Molecular Weight |
1249.612
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccc(OCc2cn(CCOCCOCCOCCOCCn3cc(COc4ccc(cc4)-c4ccc(cc4)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C74H92N10O8/c1-3-35-81(69-49-63-13-5-6-14-64(63)50-69)37-11-9-33-75-73(85)61-21-17-57(18-22-61)59-25-29-71(30-26-59)91-55-67-53-83(79-77-67)39-41-87-43-45-89-47-48-90-46-44-88-42-40-84-54-68(78-80-84)56-92-72-31-27-60(28-32-72)58-19-23-62(24-20-58)74(86)76-34-10-12-38-82(36-4-2)70-51-65-15-7-8-16-66(65)52-70/h5-8,13-32,53-54,69-70H,3-4,9-12,33-52,55-56H2,1-2H3,(H,75,85)(H,76,86)
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| InChIKey |
MQJZTAUHHVXOSQ-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