General Information of the Compound
| Compound ID |
CP0566908
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| Compound Name |
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[methyl(2-morpholin-4-ylethyl)amino]phenyl]acetamide
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| Structure |
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| Formula |
C25H31N9O2
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| Molecular Weight |
489.584
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| Canonical SMILES |
CN(CCN1CCOCC1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
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| InChI |
InChI=1S/C25H31N9O2/c1-17(35)28-21-13-20(5-6-22(21)32(2)7-8-33-9-11-36-12-10-33)29-23-14-24(30-19-3-4-19)34-25(31-23)18(15-26)16-27-34/h5-6,13-14,16,19,30H,3-4,7-12H2,1-2H3,(H,28,35)(H,29,31)
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| InChIKey |
FVMQBEJOYRRUOF-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