General Information of the Compound
| Compound ID |
CP0405590
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| Compound Name |
(3S,5S)-3-[2-(1,3-Dihydro-2H-isoindol-2-yl)-2-oxoethyl]-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCSC1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C18H21N3O3S/c22-16(21-9-12-3-1-2-4-13(12)10-21)8-14-7-15(19-17(14)23)18(24)20-5-6-25-11-20/h1-4,14-15H,5-11H2,(H,19,23)/t14-,15-/m0/s1
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| InChIKey |
GDKLHOZUSOEUKJ-GJZGRUSLSA-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