General Information of the Compound
| Compound ID |
CP0425200
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| Compound Name |
(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid
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| Structure |
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| Formula |
C14H14N2O2
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| Molecular Weight |
242.278
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| Canonical SMILES |
OC(=O)C(=C\c1ccc(cc1)N1CCCC1)\C#N
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| InChI |
InChI=1S/C14H14N2O2/c15-10-12(14(17)18)9-11-3-5-13(6-4-11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H,17,18)/b12-9+
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| InChIKey |
WSOGLEOJLSVLQF-FMIVXFBMSA-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