General Information of the Compound
| Compound ID |
CP0442935
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| Compound Name |
5-(3,5-dipyridin-3-ylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C28H24N4O4S
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| Molecular Weight |
512.591
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(cc(c2)-c2cccnc2)-c2cccnc2)c1
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| InChI |
InChI=1S/C28H24N4O4S/c1-3-37(33,34)24-8-9-26(35-2)25(15-24)32-28-31-18-27(36-28)23-13-21(19-6-4-10-29-16-19)12-22(14-23)20-7-5-11-30-17-20/h4-18H,3H2,1-2H3,(H,31,32)
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| InChIKey |
NACPZCJMBBHZEB-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