General Information of the Compound
| Compound ID |
CP0495393
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| Compound Name |
1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-1H-pyridin-2-one
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| Structure |
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| Formula |
C26H22ClN5O2
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| Molecular Weight |
471.948
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| Canonical SMILES |
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3ccccc3=O)c2n1
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| InChI |
InChI=1S/C26H22ClN5O2/c1-17-12-20(23-9-10-29-31(23)2)19-6-5-7-24(26(19)30-17)34-16-21-18(13-28-14-22(21)27)15-32-11-4-3-8-25(32)33/h3-14H,15-16H2,1-2H3
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| InChIKey |
IKXBHTSFNHQQJK-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