General Information of the Compound
| Compound ID |
CP0489645
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| Compound Name |
1-methyl-3,3-di(propan-2-yl)-1-[(2,3,5-trifluorophenyl)methyl]urea
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| Structure |
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| Formula |
C15H21F3N2O
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| Molecular Weight |
302.34
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| Canonical SMILES |
CC(C)N(C(C)C)C(=O)N(C)Cc1cc(F)cc(F)c1F
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| InChI |
InChI=1S/C15H21F3N2O/c1-9(2)20(10(3)4)15(21)19(5)8-11-6-12(16)7-13(17)14(11)18/h6-7,9-10H,8H2,1-5H3
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| InChIKey |
RESQIMKKDLPZLK-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