General Information of the Compound
| Compound ID |
CP0510563
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| Compound Name |
[5-chloro-4-[2-methyl-4-(2-methylpyrazol-3-yl)quinoline-8-carbonyl]pyridin-3-yl]methyl acetate
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| Structure |
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| Formula |
C23H19ClN4O3
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| Molecular Weight |
434.883
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| Canonical SMILES |
CC(=O)OCc1cncc(Cl)c1C(=O)c1cccc2c(cc(C)nc12)-c1ccnn1C
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| InChI |
InChI=1S/C23H19ClN4O3/c1-13-9-18(20-7-8-26-28(20)3)16-5-4-6-17(22(16)27-13)23(30)21-15(12-31-14(2)29)10-25-11-19(21)24/h4-11H,12H2,1-3H3
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| InChIKey |
BGENDLLDJMRBOQ-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