General Information of the Compound
| Compound ID |
CP0460671
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| Compound Name |
3-(4-chloro-3-(trifluoromethyl)phenyl)-1-(7-hydroxynaphthalen-1-yl)-1-methylurea
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| Structure |
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| Formula |
C19H14ClF3N2O2
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| Molecular Weight |
394.78
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| Canonical SMILES |
CN(C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)c1cccc2ccc(O)cc12
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| InChI |
InChI=1S/C19H14ClF3N2O2/c1-25(17-4-2-3-11-5-7-13(26)10-14(11)17)18(27)24-12-6-8-16(20)15(9-12)19(21,22)23/h2-10,26H,1H3,(H,24,27)
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| InChIKey |
HTBNCNCEGXQGKK-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