General Information of the Compound
| Compound ID |
CP0551769
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| Compound Name |
4-Phthalazin-1-yl-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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| Structure |
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| Formula |
C20H18F3N5O
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| Molecular Weight |
401.392
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCN(CC2)c2nncc3ccccc23)cc1
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| InChI |
InChI=1S/C20H18F3N5O/c21-20(22,23)15-5-7-16(8-6-15)25-19(29)28-11-9-27(10-12-28)18-17-4-2-1-3-14(17)13-24-26-18/h1-8,13H,9-12H2,(H,25,29)
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| InChIKey |
ZEGPQYHWMWQQRE-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