General Information of the Compound
| Compound ID |
CP0440381
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| Compound Name |
7-(2,3-dichlorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
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| Structure |
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| Formula |
C21H20Cl2N2O2
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| Molecular Weight |
403.309
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| Canonical SMILES |
Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
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| InChI |
InChI=1S/C21H20Cl2N2O2/c22-16-10-7-9-15(20(16)23)8-3-1-2-4-12-18(26)21-25-14-19(27-21)17-11-5-6-13-24-17/h5-7,9-11,13-14H,1-4,8,12H2
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| InChIKey |
OOPSZFOFVBJXMF-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