General Information of the Compound
| Compound ID |
CP0137436
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| Compound Name |
(E)-4-((3-(Carboxymethyl)-5-fluoro-1H-inden-1-ylidene)methyl)-benzoic acid
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| Structure |
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| Formula |
C19H13FO4
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| Molecular Weight |
324.307
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| Canonical SMILES |
OC(=O)CC1=C\C(=C/c2ccc(cc2)C(O)=O)c2ccc(F)cc12
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| InChI |
InChI=1S/C19H13FO4/c20-15-5-6-16-13(8-14(9-18(21)22)17(16)10-15)7-11-1-3-12(4-2-11)19(23)24/h1-8,10H,9H2,(H,21,22)(H,23,24)/b13-7+
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| InChIKey |
ZKMYIZMNTQPMDC-NTUHNPAUSA-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