General Information of the Compound
| Compound ID |
CP0834008
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| Compound Name |
(S)-2-Phenyl-7-methylpyrazolo[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 |
C25H30ClN7O2
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| Molecular Weight |
496.015
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| Canonical SMILES |
Cc1c(C(=O)NCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cnc2cc(-c3ccccc3)nn12.Cl
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| InChI |
InChI=1S/C25H29N7O2.ClH/c1-17-20(14-27-22-12-21(30-32(17)22)18-8-5-4-6-9-18)24(34)28-16-25(2,3)29-15-23(33)31-11-7-10-19(31)13-26;/h4-6,8-9,12,14,19,29H,7,10-11,15-16H2,1-3H3,(H,28,34);1H/t19-;/m0./s1
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| InChIKey |
GLDDOAUDNLQSLK-FYZYNONXSA-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