General Information of the Compound
| Compound ID |
CP0371056
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| Compound Name |
3-isopropyl-1-(3-methoxybenzyl)-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C27H28N2O2
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| Molecular Weight |
412.533
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| Canonical SMILES |
COc1cccc(CN(Cc2cccc(c2)C#Cc2ccccc2)C(=O)NC(C)C)c1
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| InChI |
InChI=1S/C27H28N2O2/c1-21(2)28-27(30)29(20-25-13-8-14-26(18-25)31-3)19-24-12-7-11-23(17-24)16-15-22-9-5-4-6-10-22/h4-14,17-18,21H,19-20H2,1-3H3,(H,28,30)
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| InChIKey |
WCGLXHAPTRXOBU-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