General Information of the Compound
| Compound ID |
CP0572109
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| Compound Name |
1-[5-[4-[[[6-[[6-(difluoromethyl)pyridin-3-yl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
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| Structure |
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| Formula |
C25H26F2N6O2
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| Molecular Weight |
480.519
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| Canonical SMILES |
CC(=O)N1CC2CC1CN2c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1
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| InChI |
InChI=1S/C25H26F2N6O2/c1-16(34)32-13-21-10-20(32)14-33(21)19-5-2-17(3-6-19)11-29-23-8-9-24(31-30-23)35-15-18-4-7-22(25(26)27)28-12-18/h2-9,12,20-21,25H,10-11,13-15H2,1H3,(H,29,30)
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| InChIKey |
ZPQWKCILAAPREP-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