General Information of the Compound
| Compound ID |
CP0164978
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| Compound Name |
6-(3-phenylpropyl)-1,2-dihydropyridazine-3,4-dione
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| Structure |
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| Formula |
C13H14N2O2
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| Molecular Weight |
230.267
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| Canonical SMILES |
Oc1cc(CCCc2ccccc2)n[nH]c1=O
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| InChI |
InChI=1S/C13H14N2O2/c16-12-9-11(14-15-13(12)17)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,16)(H,15,17)
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| InChIKey |
AYKHZIXAQMKCHB-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