General Information of the Compound
| Compound ID |
CP0491752
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| Compound Name |
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
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| Structure |
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| Formula |
C15H20FNO
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| Molecular Weight |
249.329
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| Canonical SMILES |
CC(C)(C)C(=O)N1CCCC1c1cccc(F)c1
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| InChI |
InChI=1S/C15H20FNO/c1-15(2,3)14(18)17-9-5-8-13(17)11-6-4-7-12(16)10-11/h4,6-7,10,13H,5,8-9H2,1-3H3
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| InChIKey |
KAKAXRVKJWUSTC-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