General Information of the Compound
| Compound ID |
CP0477589
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| Compound Name |
(2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C21H21F3N4O3
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| Molecular Weight |
434.418
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| Canonical SMILES |
FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
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| InChIKey |
AGDIQXJJZSTMQS-JQFCIGGWSA-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