General Information of the Compound
| Compound ID |
CP0578685
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| Compound Name |
6-[[6-(difluoromethyl)pyridin-3-yl]methoxy]-N-[[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]methyl]pyridazin-3-amine
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| Structure |
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| Formula |
C25H28F2N6O2
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| Molecular Weight |
482.535
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| Canonical SMILES |
FC(F)c1ccc(COc2ccc(NCc3ccc(cc3)N3CCN(CC3)C3COC3)nn2)cn1
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| InChI |
InChI=1S/C25H28F2N6O2/c26-25(27)22-6-3-19(14-28-22)15-35-24-8-7-23(30-31-24)29-13-18-1-4-20(5-2-18)32-9-11-33(12-10-32)21-16-34-17-21/h1-8,14,21,25H,9-13,15-17H2,(H,29,30)
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| InChIKey |
UIDSFTASNOQJJY-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