General Information of the Compound
| Compound ID |
CP0520862
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| Compound Name |
1-[4-[4-[[[6-[[6-(difluoromethyl)pyridin-3-yl]methoxy]pyridazin-3-yl]amino]methyl]-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C25H25F5N6O2
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| Molecular Weight |
536.505
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3ccc(nc3)C(F)F)nn2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F5N6O2/c1-16(37)35-8-10-36(11-9-35)19-4-3-18(20(12-19)25(28,29)30)14-32-22-6-7-23(34-33-22)38-15-17-2-5-21(24(26)27)31-13-17/h2-7,12-13,24H,8-11,14-15H2,1H3,(H,32,33)
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| InChIKey |
TWMVADBMYDEAIS-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