General Information of the Compound
| Compound ID |
CP0918433
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| Compound Name |
3-Ethyl-3-ethynyl-6-oxocyclohexa-1,4-dienecarbonitrile
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| Structure |
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| Formula |
C11H9NO
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| Molecular Weight |
171.199
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| Canonical SMILES |
C#CC1(CC)C=CC(=O)C(C#N)=C1
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| InChI |
InChI=1S/C11H9NO/c1-3-11(4-2)6-5-10(13)9(7-11)8-12/h1,5-7H,4H2,2H3
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| InChIKey |
JHHWHLBJYCYYAA-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