General Information of the Compound
| Compound ID |
CP0564460
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| Compound Name |
N-[4-[(2S,4S)-2-cyano-4-fluoropyrrolidine-1-carbonyl]-3-fluorophenyl]acetamide
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| Structure |
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| Formula |
C14H13F2N3O2
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| Molecular Weight |
293.273
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| Canonical SMILES |
CC(=O)Nc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C#N)c(F)c1
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| InChI |
InChI=1S/C14H13F2N3O2/c1-8(20)18-10-2-3-12(13(16)5-10)14(21)19-7-9(15)4-11(19)6-17/h2-3,5,9,11H,4,7H2,1H3,(H,18,20)/t9-,11-/m0/s1
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| InChIKey |
QYDVCXAKJNGONO-ONGXEEELSA-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