General Information of the Compound
| Compound ID |
CP0533835
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| Compound Name |
1-[2-chloro-6-(2-methoxyethoxy)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
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| Structure |
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| Formula |
C20H21ClF3N7O3
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| Molecular Weight |
499.881
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| Canonical SMILES |
COCCOc1cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)cc(Cl)n1
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| InChI |
InChI=1S/C20H21ClF3N7O3/c1-11-6-13(28-29-17(11)14-10-31(2)30-18(14)20(22,23)24)9-25-19(32)26-12-7-15(21)27-16(8-12)34-5-4-33-3/h6-8,10H,4-5,9H2,1-3H3,(H2,25,26,27,32)
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| InChIKey |
LIRIXOFWLZNCEA-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