General Information of the Compound
| Compound ID |
CP0272303
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| Compound Name |
1-benzyl-1-(3-((4-chlorophenyl)ethynyl)benzyl)-3-isopropylurea
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| Structure |
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| Formula |
C26H25ClN2O
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| Molecular Weight |
416.952
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| Canonical SMILES |
CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H25ClN2O/c1-20(2)28-26(30)29(18-23-7-4-3-5-8-23)19-24-10-6-9-22(17-24)12-11-21-13-15-25(27)16-14-21/h3-10,13-17,20H,18-19H2,1-2H3,(H,28,30)
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| InChIKey |
VHDDVMOBBOZRTR-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