General Information of the Compound
| Compound ID |
CP0560743
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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-[4-[[4-[4-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butylcarbamoyl]phenyl]phenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]benzamide
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| Formula |
C72H88N10O7
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| Molecular Weight |
1205.559
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccc(OCc2cn(CCOCCOCCOCCn3cc(COc4ccc(cc4)-c4ccc(cc4)C(=O)NCCCCN(CCC)C4Cc5ccccc5C4)nn3)nn2)cc1)C1Cc2ccccc2C1
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| InChI |
InChI=1S/C72H88N10O7/c1-3-35-79(67-47-61-13-5-6-14-62(61)48-67)37-11-9-33-73-71(83)59-21-17-55(18-22-59)57-25-29-69(30-26-57)88-53-65-51-81(77-75-65)39-41-85-43-45-87-46-44-86-42-40-82-52-66(76-78-82)54-89-70-31-27-58(28-32-70)56-19-23-60(24-20-56)72(84)74-34-10-12-38-80(36-4-2)68-49-63-15-7-8-16-64(63)50-68/h5-8,13-32,51-52,67-68H,3-4,9-12,33-50,53-54H2,1-2H3,(H,73,83)(H,74,84)
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| InChIKey |
ZHXPQJBVBDKOKM-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