General Information of the Compound
| Compound ID |
CP0405591
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| Compound Name |
(3S,5S)-3-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C19H23N3O3
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| Molecular Weight |
341.411
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| Canonical SMILES |
O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCCC1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C19H23N3O3/c23-17(22-11-13-5-1-2-6-14(13)12-22)10-15-9-16(20-18(15)24)19(25)21-7-3-4-8-21/h1-2,5-6,15-16H,3-4,7-12H2,(H,20,24)/t15-,16-/m0/s1
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| InChIKey |
ABWHSJNIPGGFMO-HOTGVXAUSA-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