General Information of the Compound
| Compound ID |
CP0908799
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| Compound Name |
N-[5-[[3-cyano-7-[[1-(2-hydroxyethyl)imidazol-4-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
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| Structure |
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| Formula |
C21H21N9O2
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| Molecular Weight |
431.46
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| Canonical SMILES |
CC(=O)Nc1cc(Nc2cc(Nc3cn(CCO)cn3)n3ncc(C#N)c3n2)ccc1C
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| InChI |
InChI=1S/C21H21N9O2/c1-13-3-4-16(7-17(13)25-14(2)32)26-18-8-20(27-19-11-29(5-6-31)12-23-19)30-21(28-18)15(9-22)10-24-30/h3-4,7-8,10-12,27,31H,5-6H2,1-2H3,(H,25,32)(H,26,28)
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| InChIKey |
VGGAHNIUPINIMY-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