General Information of the Compound
| Compound ID |
CP0006109
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| Compound Name |
N-[5-[8-azidooctyl(methyl)amino]pentyl]-2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-3-yl]oxyacetamide
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| Structure |
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| Formula |
C27H39N7O2S
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| Molecular Weight |
525.723
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| Canonical SMILES |
CN(CCCCCCCCN=[N+]=[N-])CCCCCNC(=O)COc1cncc(c1)C#Cc1csc(C)n1
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| InChI |
InChI=1S/C27H39N7O2S/c1-23-32-25(22-37-23)13-12-24-18-26(20-29-19-24)36-21-27(35)30-14-8-7-11-17-34(2)16-10-6-4-3-5-9-15-31-33-28/h18-20,22H,3-11,14-17,21H2,1-2H3,(H,30,35)
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| InChIKey |
VUKQZDURBZZIME-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