General Information of the Compound
| Compound ID |
CP0869840
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| Compound Name |
4-Phenyl-but-3-en-2-one oxime
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| Structure |
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| Formula |
C10H11NO
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| Molecular Weight |
161.204
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| Canonical SMILES |
CC(/C=C/c1ccccc1)=N\O
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| InChI |
InChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3/b8-7+,11-9+
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| InChIKey |
OGVPVEBIPIJKEJ-MFDVASPDSA-N
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| CAS |
21613-44-5
2887-98-1
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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