General Information of the Compound
| Compound ID |
CP0431489
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| Compound Name |
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(4-methyl-isothiazol-3-yl)-quinoline
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| Structure |
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| Formula |
C20H15Cl2N3OS
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| Molecular Weight |
416.333
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| Canonical SMILES |
Cc1csnc1-c1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
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| InChI |
InChI=1S/C20H15Cl2N3OS/c1-11-10-27-25-19(11)14-6-12(2)24-20-13(14)4-3-5-18(20)26-9-15-16(21)7-23-8-17(15)22/h3-8,10H,9H2,1-2H3
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| InChIKey |
ZTVIQFFINYCDOR-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