General Information of the Compound
| Compound ID |
CP0918434
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| Compound Name |
9a-Ethynyl-3-oxo-9,9a-dihydro-3H-fluorene-2-carbonitrile
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| Structure |
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| Formula |
C16H9NO
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| Molecular Weight |
231.254
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| Canonical SMILES |
C#CC12C=C(C#N)C(=O)C=C1c1ccccc1C2
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| InChI |
InChI=1S/C16H9NO/c1-2-16-8-11-5-3-4-6-13(11)14(16)7-15(18)12(9-16)10-17/h1,3-7,9H,8H2
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| InChIKey |
QKSWQQCACLLDFS-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