General Information of the Compound
| Compound ID |
CP0939966
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| Compound Name |
4-(4-(diethylamino)benzylidene)-3-methylisoxazol-5(4H)-one
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| Structure |
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| Formula |
C15H18N2O2
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| Molecular Weight |
258.321
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| Canonical SMILES |
CCN(CC)c1ccc(/C=C2\C(=O)ON=C2C)cc1
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| InChI |
InChI=1S/C15H18N2O2/c1-4-17(5-2)13-8-6-12(7-9-13)10-14-11(3)16-19-15(14)18/h6-10H,4-5H2,1-3H3/b14-10-
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| InChIKey |
FANCHKKMSCVJOD-UVTDQMKNSA-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