General Information of the Compound
| Compound ID |
CP0417846
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| Compound Name |
4-fluorobenzaldehyde O-4-(heptyloxy)phenylcarbamoyl oxime
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| Structure |
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| Formula |
C21H25FN2O3
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| Molecular Weight |
372.44
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| Canonical SMILES |
CCCCCCCOc1ccc(NC(=O)O\N=C\c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C21H25FN2O3/c1-2-3-4-5-6-15-26-20-13-11-19(12-14-20)24-21(25)27-23-16-17-7-9-18(22)10-8-17/h7-14,16H,2-6,15H2,1H3,(H,24,25)/b23-16+
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| InChIKey |
YKBZVEVKCOCCFO-XQNSMLJCSA-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