General Information of the Compound
| Compound ID |
CP0533935
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| Compound Name |
4-[[[3-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]benzoyl]amino]methyl]benzoic acid
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| Structure |
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| Formula |
C23H17FN2O4S
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| Molecular Weight |
436.464
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| Canonical SMILES |
OC(=O)c1ccc(CNC(=O)c2cccc(OCc3nc4cc(F)ccc4s3)c2)cc1
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| InChI |
InChI=1S/C23H17FN2O4S/c24-17-8-9-20-19(11-17)26-21(31-20)13-30-18-3-1-2-16(10-18)22(27)25-12-14-4-6-15(7-5-14)23(28)29/h1-11H,12-13H2,(H,25,27)(H,28,29)
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| InChIKey |
RWSFZOURYKGILP-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