General Information of the Compound
| Compound ID |
CP0193681
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| Compound Name |
benzyl (2-phenyl-5-propyl-1,3-thiazol-4-yl) carbonate
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| Structure |
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| Formula |
C20H19NO3S
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| Molecular Weight |
353.443
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| Canonical SMILES |
CCCc1sc(nc1OC(=O)OCc1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C20H19NO3S/c1-2-9-17-18(21-19(25-17)16-12-7-4-8-13-16)24-20(22)23-14-15-10-5-3-6-11-15/h3-8,10-13H,2,9,14H2,1H3
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| InChIKey |
NQEGWFRYXLBHCF-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