General Information of the Compound
| Compound ID |
CP0272304
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| Compound Name |
1-benzyl-3-cyclobutyl-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C27H26N2O
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| Molecular Weight |
394.518
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| Canonical SMILES |
O=C(NC1CCC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C27H26N2O/c30-27(28-26-15-8-16-26)29(20-24-11-5-2-6-12-24)21-25-14-7-13-23(19-25)18-17-22-9-3-1-4-10-22/h1-7,9-14,19,26H,8,15-16,20-21H2,(H,28,30)
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| InChIKey |
NKGNYNOQOZBKRH-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