General Information of the Compound
| Compound ID |
CP0372248
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| Compound Name |
2-Benzoxy-5-(2-methylbenzo[d]thiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C22H16N2OS
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| Molecular Weight |
356.45
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| Canonical SMILES |
Cc1nc2cc(ccc2s1)-c1ccc(OCc2ccccc2)c(c1)C#N
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| InChI |
InChI=1S/C22H16N2OS/c1-15-24-20-12-18(8-10-22(20)26-15)17-7-9-21(19(11-17)13-23)25-14-16-5-3-2-4-6-16/h2-12H,14H2,1H3
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| InChIKey |
GGOPQZHINXTGIV-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