General Information of the Compound
| Compound ID |
CP0386928
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| Compound Name |
(2S)-1-({(2S,4S)-4-[2-[4-(4-Chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl]-5-oxopyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C23H25ClN4O3
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| Molecular Weight |
440.931
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| Canonical SMILES |
Clc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C23H25ClN4O3/c24-18-5-3-15(4-6-18)16-7-10-27(11-8-16)21(29)13-17-12-20(26-22(17)30)23(31)28-9-1-2-19(28)14-25/h3-7,17,19-20H,1-2,8-13H2,(H,26,30)/t17-,19-,20-/m0/s1
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| InChIKey |
GTLLDRLWHPCRMB-IHPCNDPISA-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