General Information of the Compound
| Compound ID |
CP0489791
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| Compound Name |
(2E)-5-fluoro-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methylidene]-3H-inden-1-one
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| Structure |
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| Formula |
C24H26FNO2
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| Molecular Weight |
379.475
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| Canonical SMILES |
Fc1ccc2C(=O)\C(Cc2c1)=C\c1ccc(OCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C24H26FNO2/c25-21-7-10-23-19(17-21)16-20(24(23)27)15-18-5-8-22(9-6-18)28-14-4-13-26-11-2-1-3-12-26/h5-10,15,17H,1-4,11-14,16H2/b20-15+
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| InChIKey |
CGYHBPYQNXCVBP-HMMYKYKNSA-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