General Information of the Compound
| Compound ID |
CP0777145
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| Compound Name |
(S)-2,5,7-Trimethylpyrazolo[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 |
C21H30ClN7O2
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| Molecular Weight |
447.971
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| Canonical SMILES |
Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1.Cl
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| InChI |
InChI=1S/C21H29N7O2.ClH/c1-13-9-17-25-14(2)19(15(3)28(17)26-13)20(30)23-12-21(4,5)24-11-18(29)27-8-6-7-16(27)10-22;/h9,16,24H,6-8,11-12H2,1-5H3,(H,23,30);1H/t16-;/m0./s1
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| InChIKey |
WRHGFRFXIHOFOX-NTISSMGPSA-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