General Information of the Compound
| Compound ID |
CP0377217
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| Compound Name |
(2S)-1-{(2S,4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl}pyrrolidine-2-carboxylic Acid tert-Butylamide
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| Structure |
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| Formula |
C24H32N4O4
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| Molecular Weight |
440.544
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| Canonical SMILES |
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
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| InChI |
InChI=1S/C24H32N4O4/c1-24(2,3)26-22(31)19-9-6-10-28(19)23(32)18-11-17(21(30)25-18)12-20(29)27-13-15-7-4-5-8-16(15)14-27/h4-5,7-8,17-19H,6,9-14H2,1-3H3,(H,25,30)(H,26,31)/t17-,18-,19-/m0/s1
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| InChIKey |
GMEYLIVUYGWWQB-FHWLQOOXSA-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