General Information of the Compound
| Compound ID |
CP0466546
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| Compound Name |
[4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl] benzoate
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| Structure |
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| Formula |
C24H20N2O2S
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| Molecular Weight |
400.503
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| Canonical SMILES |
CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(OC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H20N2O2S/c1-2-6-20-15-19(13-14-25-20)23-26-22(16-29-23)17-9-11-21(12-10-17)28-24(27)18-7-4-3-5-8-18/h3-5,7-16H,2,6H2,1H3
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| InChIKey |
UTQIDXTXWUQIBV-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