General Information of the Compound
| Compound ID |
CP0161727
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| Compound Name |
2-(3,4-Dihydroxy-5-methyl-benzylidene)-malononitrile
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| Structure |
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| Formula |
C11H8N2O2
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| Molecular Weight |
200.197
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| Canonical SMILES |
Cc1cc(C=C(C#N)C#N)cc(O)c1O
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| InChI |
InChI=1S/C11H8N2O2/c1-7-2-8(3-9(5-12)6-13)4-10(14)11(7)15/h2-4,14-15H,1H3
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| InChIKey |
NBBJLHJHLMMMKM-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