General Information of the Compound
| Compound ID |
CP0573748
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| Compound Name |
1-benzyl-3-phenyl-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C29H24N2O
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| Molecular Weight |
416.524
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| Canonical SMILES |
O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C29H24N2O/c32-29(30-28-17-8-3-9-18-28)31(22-26-13-6-2-7-14-26)23-27-16-10-15-25(21-27)20-19-24-11-4-1-5-12-24/h1-18,21H,22-23H2,(H,30,32)
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| InChIKey |
DZKRZQBQPJIRNJ-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