General Information of the Compound
| Compound ID |
CP0908244
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| Compound Name |
10a-Ethynyl-5-methyl-3-oxo-3,9,10,10a-tetrahydrophenanthrene-2-carbonitrile
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| Structure |
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| Formula |
C18H13NO
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| Molecular Weight |
259.308
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| Canonical SMILES |
C#CC12C=C(C#N)C(=O)C=C1c1c(C)cccc1CC2
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| InChI |
InChI=1S/C18H13NO/c1-3-18-8-7-13-6-4-5-12(2)17(13)15(18)9-16(20)14(10-18)11-19/h1,4-6,9-10H,7-8H2,2H3
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| InChIKey |
UFZWJKDCQPJLEW-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