General Information of the Compound
| Compound ID |
CP0574195
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| Compound Name |
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(3,3-difluoroazetidin-1-yl)ethyl-methylamino]phenyl]acetamide
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| Structure |
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| Formula |
C24H27F2N9O
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| Molecular Weight |
495.538
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| Canonical SMILES |
CN(CCN1CC(F)(F)C1)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O
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| InChI |
InChI=1S/C24H27F2N9O/c1-15(36)29-19-9-18(5-6-20(19)33(2)7-8-34-13-24(25,26)14-34)30-21-10-22(31-17-3-4-17)35-23(32-21)16(11-27)12-28-35/h5-6,9-10,12,17,31H,3-4,7-8,13-14H2,1-2H3,(H,29,36)(H,30,32)
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| InChIKey |
IHVQLZGQPCNROR-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