General Information of the Compound
| Compound ID |
CP0425083
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| Compound Name |
2-[(6-fluoro-1H-indol-3-yl)methylidene]propanedioic acid
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| Structure |
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| Formula |
C12H8FNO4
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| Molecular Weight |
249.197
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| Canonical SMILES |
OC(=O)C(=Cc1c[nH]c2cc(F)ccc12)C(O)=O
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| InChI |
InChI=1S/C12H8FNO4/c13-7-1-2-8-6(5-14-10(8)4-7)3-9(11(15)16)12(17)18/h1-5,14H,(H,15,16)(H,17,18)
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| InChIKey |
YABYWBVLDCDXDQ-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