General Information of the Compound
| Compound ID |
CP0249678
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| Compound Name |
8-[[4-fluoro-3-(piperazine-1-carbonyl)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 |
C19H22FN5O2
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| Molecular Weight |
371.416
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNCC1
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| InChI |
InChI=1S/C19H22FN5O2/c20-15-4-3-12(10-14(15)19(27)25-8-6-21-7-9-25)11-16-17-13(2-1-5-22-17)18(26)24-23-16/h3-4,10,21-22H,1-2,5-9,11H2,(H,24,26)
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| InChIKey |
ZHYVGDBBFIUWNS-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