General Information of the Compound
| Compound ID |
CP0563430
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| Compound Name |
1-(6-(Furan-2-yl)-pyridazin-3-yl)-7-phenylheptan-1-one
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1ccc(nn1)-c1ccco1
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| InChI |
InChI=1S/C21H22N2O2/c24-20(12-7-2-1-4-9-17-10-5-3-6-11-17)18-14-15-19(23-22-18)21-13-8-16-25-21/h3,5-6,8,10-11,13-16H,1-2,4,7,9,12H2
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| InChIKey |
QZFCVTYVVLYVEU-UHFFFAOYSA-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