General Information of the Compound
| Compound ID |
CP0557976
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| Compound Name |
1-[2-chloro-6-(2,2-difluoroethoxy)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 |
C19H17ClF5N7O2
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| Molecular Weight |
505.835
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| Canonical SMILES |
Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F
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| InChI |
InChI=1S/C19H17ClF5N7O2/c1-9-3-11(29-30-16(9)12-7-32(2)31-17(12)19(23,24)25)6-26-18(33)27-10-4-13(20)28-15(5-10)34-8-14(21)22/h3-5,7,14H,6,8H2,1-2H3,(H2,26,27,28,33)
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| InChIKey |
QMOZZTDVAZMWRE-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
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2