General Information of the Compound
| Compound ID |
CP0415474
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| Compound Name |
N-[(3-ethynylphenyl)methyl]-N-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]pentanamide
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| Structure |
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| Formula |
C21H20FN5O
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| Molecular Weight |
377.423
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| Canonical SMILES |
CCCCC(=O)N(Cc1cccc(c1)C#C)c1cc(ccc1F)-c1nnn[nH]1
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| InChI |
InChI=1S/C21H20FN5O/c1-3-5-9-20(28)27(14-16-8-6-7-15(4-2)12-16)19-13-17(10-11-18(19)22)21-23-25-26-24-21/h2,6-8,10-13H,3,5,9,14H2,1H3,(H,23,24,25,26)
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| InChIKey |
WIPNDEXJGQRWBH-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