General Information of the Compound
| Compound ID |
CP0097748
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| Compound Name |
N-[2-fluoro-5-[(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)methyl]phenyl]-3-methoxypropanamide
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| Structure |
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| Formula |
C18H21FN4O3
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| Molecular Weight |
360.389
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| Canonical SMILES |
COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
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| InChI |
InChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25)
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| InChIKey |
HCXMNLCCKOKFQJ-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