General Information of the Compound
| Compound ID |
CP0921866
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| Compound Name |
3-Methyl-4-m-tolyl-but-3-en-2-one oxime
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| Structure |
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| Formula |
C12H15NO
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| Molecular Weight |
189.258
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| Canonical SMILES |
CC(=C\c1cccc(C)c1)/C(C)=N/O
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| InChI |
InChI=1S/C12H15NO/c1-9-5-4-6-12(7-9)8-10(2)11(3)13-14/h4-8,14H,1-3H3/b10-8+,13-11+
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| InChIKey |
NRWUQTDDZGRQAT-HATNNVTISA-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