General Information of the Compound
| Compound ID |
CP0574592
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| Compound Name |
2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin-6-yl)-1-methyl-1H- pyrazol-5-yl)-3-fluorobenzonitrile
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| Structure |
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| Formula |
C20H15FN6O
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| Molecular Weight |
374.379
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| Canonical SMILES |
Cn1ncc(c1-c1c(F)cccc1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O
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| InChI |
InChI=1S/C20H15FN6O/c1-27-19(18-12(8-22)3-2-4-16(18)21)15(10-24-27)11-5-6-13-14(7-11)17(9-23)25-26-20(13)28/h2-7,10H,9,23H2,1H3,(H,26,28)
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| InChIKey |
GAACRSYZQFEIAT-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