General Information of the Compound
| Compound ID |
CP0062799
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| Compound Name |
8-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
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| Structure |
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| Formula |
C20H24FN5O2
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| Molecular Weight |
385.443
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| Canonical SMILES |
NC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
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| InChI |
InChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27)
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| InChIKey |
OIRXEJBGBNMAEY-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