General Information of the Compound
| Compound ID |
CP0573319
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| Compound Name |
1-(4-chlorophenyl)-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]urea
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| Structure |
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| Formula |
C16H14ClF3N2O2
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| Molecular Weight |
358.747
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| Canonical SMILES |
FC(F)(F)Oc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C16H14ClF3N2O2/c17-12-4-6-13(7-5-12)22-15(23)21-9-8-11-2-1-3-14(10-11)24-16(18,19)20/h1-7,10H,8-9H2,(H2,21,22,23)
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| InChIKey |
MERGDUFFWFLDNT-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