General Information of the Compound
| Compound ID |
CP0051600
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| Compound Name |
2-(2-chloro-4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)phenyl)acetic acid
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| Structure |
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| Formula |
C23H24ClF3N2O4
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| Molecular Weight |
484.902
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| Canonical SMILES |
CCCc1c(OCCCN(C)c2ccc(CC(O)=O)c(Cl)c2)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C23H24ClF3N2O4/c1-3-5-16-19(9-8-17-21(16)33-28-22(17)23(25,26)27)32-11-4-10-29(2)15-7-6-14(12-20(30)31)18(24)13-15/h6-9,13H,3-5,10-12H2,1-2H3,(H,30,31)
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| InChIKey |
JRJIJEXVKDFRTL-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