General Information of the Compound
| Compound ID |
CP0309352
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| Compound Name |
8-[3-chloro-5-(thiazol-2-ylsulfanyl)-pyridin-4-ylmethoxy]-2-methyl-4-(2-methyl-2Hpyrazol-3-yl)-quinoline
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| Structure |
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| Formula |
C23H18ClN5OS2
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| Molecular Weight |
480.018
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| Canonical SMILES |
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccs3)c2n1
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| InChI |
InChI=1S/C23H18ClN5OS2/c1-14-10-16(19-6-7-27-29(19)2)15-4-3-5-20(22(15)28-14)30-13-17-18(24)11-25-12-21(17)32-23-26-8-9-31-23/h3-12H,13H2,1-2H3
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| InChIKey |
TUCLMUPXHWRYJT-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