General Information of the Compound
| Compound ID |
CP0666319
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| Compound Name |
1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-yl)piperazine-2,5-dione dihydrochloride
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| Structure |
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| Formula |
C25H30Cl2N4O2
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| Molecular Weight |
489.447
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| Canonical SMILES |
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(N4CC(=O)NCC4=O)cc23)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H28N4O2.2ClH/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31;;/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30);2*1H
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| InChIKey |
PDSQZVILCMRWAO-UHFFFAOYSA-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: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9