General Information of the Compound
| Compound ID |
CP0558092
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| Compound Name |
(2E)-2-benzylidene-6-(2-piperidin-1-ylethoxy)-3H-inden-1-one
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| Structure |
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| Formula |
C23H25NO2
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| Molecular Weight |
347.458
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| Canonical SMILES |
O=C1\C(Cc2ccc(OCCN3CCCCC3)cc12)=C\c1ccccc1
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| InChI |
InChI=1S/C23H25NO2/c25-23-20(15-18-7-3-1-4-8-18)16-19-9-10-21(17-22(19)23)26-14-13-24-11-5-2-6-12-24/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2/b20-15+
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| InChIKey |
PHUULGHNENMESX-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