General Information of the Compound
| Compound ID |
CP0514557
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| Compound Name |
3-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C25H18FNO5S
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| Molecular Weight |
463.486
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| Canonical SMILES |
OC(=O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1
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| InChI |
InChI=1S/C25H18FNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-25(27)31)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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| InChIKey |
GKBVTPZOEBZVIA-XKZIYDEJSA-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