General Information of the Compound
| Compound ID |
CP0578019
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| Compound Name |
1-(4-chlorophenyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
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| Structure |
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| Formula |
C16H14ClF3N2O
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| Molecular Weight |
342.748
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| Canonical SMILES |
FC(F)(F)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C16H14ClF3N2O/c17-13-5-7-14(8-6-13)22-15(23)21-10-9-11-1-3-12(4-2-11)16(18,19)20/h1-8H,9-10H2,(H2,21,22,23)
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| InChIKey |
YATXYMOVNGVBHT-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