General Information of the Compound
| Compound ID |
CP0138655
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| Compound Name |
(2S,3R)-2-amino-1-(isoindolin-2-yl)-3-methylpentan-1-one
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| Structure |
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| Formula |
C14H20N2O
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| Molecular Weight |
232.327
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| Canonical SMILES |
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C14H20N2O/c1-3-10(2)13(15)14(17)16-8-11-6-4-5-7-12(11)9-16/h4-7,10,13H,3,8-9,15H2,1-2H3/t10-,13+/m1/s1
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| InChIKey |
UBDCHKXSBGAGNJ-MFKMUULPSA-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
Protein ID: PT03315, Prolyl endopeptidase FAP