General Information of the Compound
| Compound ID |
CP0532317
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| Compound Name |
(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)prop-2-enoic acid
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| Structure |
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| Formula |
C12H7FN2O2
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| Molecular Weight |
230.198
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| Canonical SMILES |
OC(=O)C(=C\c1c[nH]c2cc(F)ccc12)\C#N
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| InChI |
InChI=1S/C12H7FN2O2/c13-9-1-2-10-8(6-15-11(10)4-9)3-7(5-14)12(16)17/h1-4,6,15H,(H,16,17)/b7-3+
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| InChIKey |
JONAYMMCHYGONJ-XVNBXDOJSA-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