General Information of the Compound
| Compound ID |
CP0544329
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| Compound Name |
N,N-dibenzylprop-2-yn-1-amine
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| Structure |
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| Formula |
C17H17N
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| Molecular Weight |
235.33
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| Canonical SMILES |
C#CCN(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C17H17N/c1-2-13-18(14-16-9-5-3-6-10-16)15-17-11-7-4-8-12-17/h1,3-12H,13-15H2
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| InChIKey |
WMJCLHWQJNADLX-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