General Information of the Compound
| Compound ID |
CP0548428
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| Compound Name |
3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C25H22FN7
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| Molecular Weight |
439.498
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4cccc(c4)C#N)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C25H22FN7/c26-20-6-7-22-19(14-29-23(22)12-20)11-25-32-31-24(10-17-3-1-4-18(9-17)13-27)33(25)8-2-5-21-15-28-16-30-21/h1,3-4,6-7,9,12,14-16,29H,2,5,8,10-11H2,(H,28,30)
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| InChIKey |
ZYTBRIRSAAUYTD-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