General Information of the Compound
| Compound ID |
CP0303350
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| Compound Name |
1-benzyl-3-(pentan-3-yl)-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C28H30N2O
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| Molecular Weight |
410.561
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| Canonical SMILES |
CCC(CC)NC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C28H30N2O/c1-3-27(4-2)29-28(31)30(21-25-14-9-6-10-15-25)22-26-17-11-16-24(20-26)19-18-23-12-7-5-8-13-23/h5-17,20,27H,3-4,21-22H2,1-2H3,(H,29,31)
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| InChIKey |
FASDJRWMPFWFNW-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