General Information of the Compound
| Compound ID |
CP0521093
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| Compound Name |
(2S,5R)-5-[3-cyano-4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C19H18FN3O2
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| Molecular Weight |
339.37
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| Canonical SMILES |
NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(OCc2ccccc2F)c(c1)C#N
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| InChI |
InChI=1S/C19H18FN3O2/c20-15-4-2-1-3-13(15)11-25-18-8-5-12(9-14(18)10-21)16-6-7-17(23-16)19(22)24/h1-5,8-9,16-17,23H,6-7,11H2,(H2,22,24)/t16-,17+/m1/s1
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| InChIKey |
ZZDYMRPEDUYFJR-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