General Information of the Compound
| Compound ID |
CP0263581
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| Compound Name |
8-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
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| Structure |
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| Formula |
C18H19FN4O2
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| Molecular Weight |
342.374
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1CCCC1=O
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| InChI |
InChI=1S/C18H19FN4O2/c19-13-6-5-11(10-15(13)23-8-2-4-16(23)24)9-14-17-12(3-1-7-20-17)18(25)22-21-14/h5-6,10,20H,1-4,7-9H2,(H,22,25)
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| InChIKey |
SMPASDOYQWYKNS-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