General Information of the Compound
| Compound ID |
CP0051591
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| Compound Name |
2-(2-(methyl(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propyl)amino)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C20H22F3N3O4S
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| Molecular Weight |
457.474
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| Canonical SMILES |
CCCc1c(OCCCN(C)c2ncc(CC(O)=O)s2)ccc2c(noc12)C(F)(F)F
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| InChI |
InChI=1S/C20H22F3N3O4S/c1-3-5-13-15(7-6-14-17(13)30-25-18(14)20(21,22)23)29-9-4-8-26(2)19-24-11-12(31-19)10-16(27)28/h6-7,11H,3-5,8-10H2,1-2H3,(H,27,28)
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| InChIKey |
OVJGYBFXJVQSHK-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