General Information of the Compound
| Compound ID |
CP0242580
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| Compound Name |
(2S,5R)-5-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C18H18F2N2O2
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| Molecular Weight |
332.35
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| Canonical SMILES |
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)cc1F
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| InChI |
InChI=1S/C18H18F2N2O2/c19-14-4-2-1-3-11(14)10-24-12-5-6-13(15(20)9-12)16-7-8-17(22-16)18(21)23/h1-6,9,16-17,22H,7-8,10H2,(H2,21,23)/t16-,17+/m1/s1
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| InChIKey |
MYOATOUAJTXGDJ-SJORKVTESA-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