General Information of the Compound
| Compound ID |
CP0123519
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| Compound Name |
1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylmethyl)phthalazine
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| Structure |
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| Formula |
C21H14ClF3N4
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| Molecular Weight |
414.818
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
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| InChI |
InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
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| InChIKey |
ONVYCEKKOOSVPA-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