General Information of the Compound
| Compound ID |
CP0818434
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| Compound Name |
(S)-2-tert-Butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid{2-[(2-cyanopyrrolidin-1-yl)-2-oxoethylamino]-2-methylpropyl}amide hydrochloride
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| Structure |
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| Formula |
C24H36ClN7O2
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| Molecular Weight |
490.052
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| Canonical SMILES |
Cc1nc2cc(C(C)(C)C)nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl
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| InChI |
InChI=1S/C24H35N7O2.ClH/c1-15-21(16(2)31-19(28-15)11-18(29-31)23(3,4)5)22(33)26-14-24(6,7)27-13-20(32)30-10-8-9-17(30)12-25;/h11,17,27H,8-10,13-14H2,1-7H3,(H,26,33);1H/t17-;/m0./s1
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| InChIKey |
KXWIMWYJNMEWPT-LMOVPXPDSA-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: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9