General Information of the Compound
| Compound ID |
CP0509744
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| Compound Name |
3-[6-(dimethylamino)-4-methylpyridin-3-yl]-N-ethyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
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| Structure |
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| Formula |
C25H29FN6
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| Molecular Weight |
432.547
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| Canonical SMILES |
CCN(Cc1ccccc1F)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
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| InChI |
InChI=1S/C25H29FN6/c1-7-31(15-19-10-8-9-11-21(19)26)23-13-17(3)28-25-24(18(4)29-32(23)25)20-14-27-22(30(5)6)12-16(20)2/h8-14H,7,15H2,1-6H3
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| InChIKey |
XIUQHMKNCTUUEM-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