General Information of the Compound
| Compound ID |
CP0099132
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| Compound Name |
2-(6-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)pyridin-3-yl)acetic acid
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| Structure |
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| Formula |
C22H24F3N3O4
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| Molecular Weight |
451.445
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| Canonical SMILES |
CCCc1c(OCCCN(C)c2ccc(CC(O)=O)cn2)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N3O4/c1-3-5-15-17(8-7-16-20(15)32-27-21(16)22(23,24)25)31-11-4-10-28(2)18-9-6-14(13-26-18)12-19(29)30/h6-9,13H,3-5,10-12H2,1-2H3,(H,29,30)
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| InChIKey |
KXKUFEBWUQXFEK-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