General Information of the Compound
| Compound ID |
CP0418449
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| Compound Name |
4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan-5-yliden]-methyl}-2-methoxyphenoxy)methyl]benzoic Acid
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| Structure |
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| Formula |
C26H20FNO6S
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| Molecular Weight |
493.512
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| Canonical SMILES |
COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H20FNO6S/c1-33-22-12-18(6-11-21(22)34-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)28(26(32)35-23)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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| InChIKey |
IWXPCBSANHRWFG-QRVIBDJDSA-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