General Information of the Compound
| Compound ID |
CP0046515
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| Compound Name |
1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-(methylamino)ethanone
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| Structure |
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| Formula |
C24H28ClN9O
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| Molecular Weight |
494.003
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| Canonical SMILES |
CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
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| InChI |
InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)
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| InChIKey |
URRXEWDNSQBJIA-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