General Information of the Compound
| Compound ID |
CP0460506
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| Compound Name |
(E)-3-[5-(Benzo[1,3]dioxol-5-ylmethoxy)-2-cyano-phenyl]-2-phenyl-acrylic acid
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| Structure |
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| Formula |
C24H17NO5
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| Molecular Weight |
399.402
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2ccc3OCOc3c2)ccc1C#N)\c1ccccc1
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| InChI |
InChI=1S/C24H17NO5/c25-13-18-7-8-20(28-14-16-6-9-22-23(10-16)30-15-29-22)11-19(18)12-21(24(26)27)17-4-2-1-3-5-17/h1-12H,14-15H2,(H,26,27)/b21-12+
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| InChIKey |
XLSHQHHQPZNFIN-CIAFOILYSA-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