General Information of the Compound
| Compound ID |
CP0961379
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| Compound Name |
10a-Ethynyl-3-oxo-3,9,10,10a-tetrahydrophenanthrene-2-carbonitrile
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| Structure |
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| Formula |
C17H11NO
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| Molecular Weight |
245.281
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| Canonical SMILES |
C#CC12C=C(C#N)C(=O)C=C1c1ccccc1CC2
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| InChI |
InChI=1S/C17H11NO/c1-2-17-8-7-12-5-3-4-6-14(12)15(17)9-16(19)13(10-17)11-18/h1,3-6,9-10H,7-8H2
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| InChIKey |
IMCDSEHQYWDCNA-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