General Information of the Compound
| Compound ID |
CP0566981
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| Compound Name |
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C21H18ClF3N2O
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| Molecular Weight |
406.835
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| Canonical SMILES |
Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H18ClF3N2O/c1-12-8-9-15(11-18(12)22)26-20(28)16-10-13(2)27(14(16)3)19-7-5-4-6-17(19)21(23,24)25/h4-11H,1-3H3,(H,26,28)
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| InChIKey |
RDXKMXCUFPHPPU-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