General Information of the Compound
| Compound ID |
CP0190669
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| Compound Name |
4-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)benzoic acid
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| Structure |
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| Formula |
C22H23F3N2O4
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| Molecular Weight |
436.43
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| Canonical SMILES |
CCCc1c(OCCCN(C)c2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N2O4/c1-3-5-16-18(11-10-17-19(16)31-26-20(17)22(23,24)25)30-13-4-12-27(2)15-8-6-14(7-9-15)21(28)29/h6-11H,3-5,12-13H2,1-2H3,(H,28,29)
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| InChIKey |
PNGBFYGVOOVAIY-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