General Information of the Compound
| Compound ID |
CP0706752
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| Compound Name |
(S)-2-Phenyl-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 |
C26H32ClN7O2
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| Molecular Weight |
510.042
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| Canonical SMILES |
Cc1nc2cc(-c3ccccc3)nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N.Cl
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| InChI |
InChI=1S/C26H31N7O2.ClH/c1-17-24(18(2)33-22(30-17)13-21(31-33)19-9-6-5-7-10-19)25(35)28-16-26(3,4)29-15-23(34)32-12-8-11-20(32)14-27;/h5-7,9-10,13,20,29H,8,11-12,15-16H2,1-4H3,(H,28,35);1H/t20-;/m0./s1
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| InChIKey |
FUYLHAUNTIPMFN-BDQAORGHSA-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