General Information of the Compound
| Compound ID |
CP0786008
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| Compound Name |
1-(6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl)-N,N-diethylpiperidine-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C20H27ClN8O
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| Molecular Weight |
430.944
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| Canonical SMILES |
CCN(CC)C(=O)C1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1.Cl
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| InChI |
InChI=1S/C20H26N8O.ClH/c1-3-26(4-2)20(29)14-7-5-9-27(12-14)16-11-15(23-13-24-16)17-18(21)25-28-10-6-8-22-19(17)28;/h6,8,10-11,13-14H,3-5,7,9,12H2,1-2H3,(H2,21,25);1H
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| InChIKey |
FEQXTCXKVFPREY-UHFFFAOYSA-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