General Information of the Compound
| Compound ID |
CP0562836
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| Compound Name |
1-[4-[4-[[[6-[[6-(difluoromethyl)pyridin-3-yl]methoxy]pyridazin-3-yl]amino]methyl]-2-fluorophenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C24H25F3N6O2
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| Molecular Weight |
486.498
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)cc1F
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| InChI |
InChI=1S/C24H25F3N6O2/c1-16(34)32-8-10-33(11-9-32)21-5-3-17(12-19(21)25)13-29-22-6-7-23(31-30-22)35-15-18-2-4-20(24(26)27)28-14-18/h2-7,12,14,24H,8-11,13,15H2,1H3,(H,29,30)
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| InChIKey |
MFTPMEHEZQCZME-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