General Information of the Compound
| Compound ID |
CP0568049
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| Compound Name |
1-[4-[4-[[[6-[[6-(difluoromethyl)pyridin-3-yl]methoxy]pyridazin-3-yl]amino]methyl]phenyl]-2,2-dimethylpiperazin-1-yl]ethanone
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| Structure |
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| Formula |
C26H30F2N6O2
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| Molecular Weight |
496.562
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| Canonical SMILES |
CC(=O)N1CCN(CC1(C)C)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1
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| InChI |
InChI=1S/C26H30F2N6O2/c1-18(35)34-13-12-33(17-26(34,2)3)21-7-4-19(5-8-21)14-30-23-10-11-24(32-31-23)36-16-20-6-9-22(25(27)28)29-15-20/h4-11,15,25H,12-14,16-17H2,1-3H3,(H,30,31)
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| InChIKey |
MWBXRFRHHGVRKE-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