General Information of the Compound
| Compound ID |
CP0574172
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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-[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]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
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| Formula |
C76H96N10O9
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| Molecular Weight |
1293.665
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccc(OCc2cn(CCOCCOCCOCCOCCOCCn3cc(COc4ccc(cc4)-c4ccc(cc4)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C76H96N10O9/c1-3-35-83(71-51-65-13-5-6-14-66(65)52-71)37-11-9-33-77-75(87)63-21-17-59(18-22-63)61-25-29-73(30-26-61)94-57-69-55-85(81-79-69)39-41-89-43-45-91-47-49-93-50-48-92-46-44-90-42-40-86-56-70(80-82-86)58-95-74-31-27-62(28-32-74)60-19-23-64(24-20-60)76(88)78-34-10-12-38-84(36-4-2)72-53-67-15-7-8-16-68(67)54-72/h5-8,13-32,55-56,71-72H,3-4,9-12,33-54,57-58H2,1-2H3,(H,77,87)(H,78,88)
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| InChIKey |
VLBMGXWHOLLSJU-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