General Information of the Compound
| Compound ID |
CP0492673
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| Compound Name |
4-Fluoro-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]-pyrrolidin-3-yl}benzamide
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| Structure |
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| Formula |
C22H20F2N2O
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| Molecular Weight |
366.411
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N[C@@H]1CCN(Cc2ccc3cc(F)ccc3c2)C1
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| InChI |
InChI=1S/C22H20F2N2O/c23-19-6-3-16(4-7-19)22(27)25-21-9-10-26(14-21)13-15-1-2-18-12-20(24)8-5-17(18)11-15/h1-8,11-12,21H,9-10,13-14H2,(H,25,27)/t21-/m1/s1
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| InChIKey |
GBEZOOMNAQDDIS-OAQYLSRUSA-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