General Information of the Compound
| Compound ID |
CP0236824
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| Compound Name |
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 |
C15H15FN4O2
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| Molecular Weight |
302.309
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| Canonical SMILES |
NC(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F
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| InChI |
InChI=1S/C15H15FN4O2/c16-11-4-3-8(6-10(11)14(17)21)7-12-13-9(2-1-5-18-13)15(22)20-19-12/h3-4,6,18H,1-2,5,7H2,(H2,17,21)(H,20,22)
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| InChIKey |
NIMOKLXVCDUKRK-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