General Information of the Compound
| Compound ID |
CP0180485
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| Compound Name |
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxypyrazol-1-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C22H23ClN8O2
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| Molecular Weight |
466.933
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| Canonical SMILES |
COc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C22H23ClN8O2/c1-14(32)29-9-6-15(7-10-29)31-13-17(21(28-31)33-2)26-22-25-11-16(23)20(27-22)18-12-24-19-5-3-4-8-30(18)19/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26,27)
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| InChIKey |
BLGAPWCYLDPMFH-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