General Information of the Compound
| Compound ID |
CP0908798
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| Compound Name |
N-[5-[[3-cyano-7-[[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]acetamide
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| Structure |
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| Formula |
C25H28N10O
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| Molecular Weight |
484.568
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| Canonical SMILES |
CC(=O)Nc1cc(Nc2cc(Nc3ccn(CCN4CCCC4)n3)n3ncc(C#N)c3n2)ccc1C
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| InChI |
InChI=1S/C25H28N10O/c1-17-5-6-20(13-21(17)28-18(2)36)29-23-14-24(35-25(31-23)19(15-26)16-27-35)30-22-7-10-34(32-22)12-11-33-8-3-4-9-33/h5-7,10,13-14,16H,3-4,8-9,11-12H2,1-2H3,(H,28,36)(H,29,31)(H,30,32)
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| InChIKey |
ZOFWAUNCGRMNQQ-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