General Information of the Compound
| Compound ID |
CP0525559
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C15H18ClF3N2O2
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| Molecular Weight |
350.768
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| Canonical SMILES |
COCCNC(=O)C1CCN(C1)c1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H18ClF3N2O2/c1-23-7-5-20-14(22)10-4-6-21(9-10)11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,10H,4-7,9H2,1H3,(H,20,22)
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| InChIKey |
QSKDUBPOWRDQFC-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