General Information of the Compound
| Compound ID |
CP0317979
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| Compound Name |
N-ethyl-2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzamide
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| Structure |
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| Formula |
C17H19FN4O2
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| Molecular Weight |
330.363
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| Canonical SMILES |
CCNC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
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| InChI |
InChI=1S/C17H19FN4O2/c1-2-19-16(23)12-8-10(5-6-13(12)18)9-14-15-11(4-3-7-20-15)17(24)22-21-14/h5-6,8,20H,2-4,7,9H2,1H3,(H,19,23)(H,22,24)
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| InChIKey |
LKMJEBNXTOUPSB-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