General Information of the Compound
| Compound ID |
CP0374376
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| Compound Name |
7-Benzyl-4-[4-(5-trifluoromethylpyridin-2-yl)piperazin-1-yl]furo[2,3-d]pyridazine
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| Structure |
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| Formula |
C23H20F3N5O
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| Molecular Weight |
439.441
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| Canonical SMILES |
FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2occc12
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| InChI |
InChI=1S/C23H20F3N5O/c24-23(25,26)17-6-7-20(27-15-17)30-9-11-31(12-10-30)22-18-8-13-32-21(18)19(28-29-22)14-16-4-2-1-3-5-16/h1-8,13,15H,9-12,14H2
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| InChIKey |
SBGNBKAOBXLSTB-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
Protein ID: PT02397, Protein smoothened
Protein ID: PT04361, Protein smoothened