General Information of the Compound
| Compound ID |
CP0822112
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| Compound Name |
(S)-2-Methyl-7-trifluoromethylpyrazolo[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 |
C20H25ClF3N7O2
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| Molecular Weight |
487.914
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| Canonical SMILES |
Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C(F)(F)F)n2n1.Cl
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| InChI |
InChI=1S/C20H24F3N7O2.ClH/c1-12-7-15-25-9-14(17(20(21,22)23)30(15)28-12)18(32)26-11-19(2,3)27-10-16(31)29-6-4-5-13(29)8-24;/h7,9,13,27H,4-6,10-11H2,1-3H3,(H,26,32);1H/t13-;/m0./s1
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| InChIKey |
ADFWQFJFNRSYOA-ZOWNYOTGSA-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