General Information of the Compound
| Compound ID |
CP0416420
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| Compound Name |
2S)-1-({(2S,4S)-5-oxo-4-[2-Oxo-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl]ethyl]pyrrolidin-2-yl}carbonyl)-pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C19H21F3N6O3
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| Molecular Weight |
438.41
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| Canonical SMILES |
FC(F)(F)c1cn2CCN(Cc2n1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C19H21F3N6O3/c20-19(21,22)14-9-26-4-5-27(10-15(26)25-14)16(29)7-11-6-13(24-17(11)30)18(31)28-3-1-2-12(28)8-23/h9,11-13H,1-7,10H2,(H,24,30)/t11-,12-,13-/m0/s1
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| InChIKey |
AYVUWXKLZDSRKI-AVGNSLFASA-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
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT01241, Prolyl endopeptidase FAP