General Information of the Compound
| Compound ID |
CP0564431
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| Compound Name |
N-[4-[(2S,4S)-2-cyano-4-fluoropyrrolidine-1-carbonyl]phenyl]acetamide
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| Structure |
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| Formula |
C14H14FN3O2
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| Molecular Weight |
275.283
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N
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| InChI |
InChI=1S/C14H14FN3O2/c1-9(19)17-12-4-2-10(3-5-12)14(20)18-8-11(15)6-13(18)7-16/h2-5,11,13H,6,8H2,1H3,(H,17,19)/t11-,13-/m0/s1
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| InChIKey |
COJKTPSRRURWGW-AAEUAGOBSA-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