General Information of the Compound
| Compound ID |
CP0377881
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| Compound Name |
4-O-(2,5-diphenyl-1,3-thiazol-4-yl) 1-O-ethyl butanedioate
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| Structure |
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| Formula |
C21H19NO4S
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| Molecular Weight |
381.453
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| Canonical SMILES |
CCOC(=O)CCC(=O)Oc1nc(sc1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C21H19NO4S/c1-2-25-17(23)13-14-18(24)26-20-19(15-9-5-3-6-10-15)27-21(22-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
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| InChIKey |
VJIUAGDPAXFIEW-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