General Information of the Compound
| Compound ID |
CP0160009
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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]-N-(2-pyrrolidin-1-ylethyl)benzamide
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| Structure |
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| Formula |
C21H26FN5O2
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| Molecular Weight |
399.47
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| Canonical SMILES |
Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NCCN1CCCC1
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| InChI |
InChI=1S/C21H26FN5O2/c22-17-6-5-14(12-16(17)20(28)24-8-11-27-9-1-2-10-27)13-18-19-15(4-3-7-23-19)21(29)26-25-18/h5-6,12,23H,1-4,7-11,13H2,(H,24,28)(H,26,29)
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| InChIKey |
YZIDOKPBNXLIHZ-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