General Information of the Compound
| Compound ID |
CP0801137
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| Compound Name |
(S)-2-tert-Butyl-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 |
C23H34ClN7O2
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| Molecular Weight |
476.025
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| Canonical SMILES |
Cc1c(C(=O)NCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)cnc2cc(C(C)(C)C)nn12.Cl
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| InChI |
InChI=1S/C23H33N7O2.ClH/c1-15-17(12-25-19-10-18(22(2,3)4)28-30(15)19)21(32)26-14-23(5,6)27-13-20(31)29-9-7-8-16(29)11-24;/h10,12,16,27H,7-9,13-14H2,1-6H3,(H,26,32);1H/t16-;/m0./s1
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| InChIKey |
NZILINNYLMUKCX-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