General Information of the Compound
| Compound ID |
CP0282712
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| Compound Name |
3-isopropyl-1-(3-(phenylethynyl)benzyl)-1-(3-(trifluoromethyl)benzyl)urea
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| Structure |
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| Formula |
C27H25F3N2O
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| Molecular Weight |
450.504
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| Canonical SMILES |
CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F3N2O/c1-20(2)31-26(33)32(19-24-12-7-13-25(17-24)27(28,29)30)18-23-11-6-10-22(16-23)15-14-21-8-4-3-5-9-21/h3-13,16-17,20H,18-19H2,1-2H3,(H,31,33)
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| InChIKey |
GJOZBLILYQSUTR-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