General Information of the Compound
| Compound ID |
CP0194479
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| Compound Name |
1-(3-Trifluormethyl-5-fluoroanilino)-4-(4-pyridylmethyl)phthalazine
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| Structure |
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| Formula |
C21H14F4N4
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| Molecular Weight |
398.363
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| Canonical SMILES |
Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H14F4N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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| InChIKey |
FZROGUOMLPOFBV-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