General Information of the Compound
| Compound ID |
CP0531878
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| Compound Name |
[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C16H18ClF3N2O
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| Molecular Weight |
346.78
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)N1CCC(C1)C(=O)N1CCCC1
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| InChI |
InChI=1S/C16H18ClF3N2O/c17-14-4-3-12(9-13(14)16(18,19)20)22-8-5-11(10-22)15(23)21-6-1-2-7-21/h3-4,9,11H,1-2,5-8,10H2
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| InChIKey |
RYJRQSOIHQVIDX-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