General Information of the Compound
| Compound ID |
CP0452516
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| Compound Name |
2-[[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]oxy]acetic acid
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| Structure |
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| Formula |
C18H16BrFN4O4S
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| Molecular Weight |
483.319
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| Canonical SMILES |
OC(=O)COc1nc2cnc(nc2s1)N1CCC(CC1)Oc1cc(F)ccc1Br
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| InChI |
InChI=1S/C18H16BrFN4O4S/c19-12-2-1-10(20)7-14(12)28-11-3-5-24(6-4-11)17-21-8-13-16(23-17)29-18(22-13)27-9-15(25)26/h1-2,7-8,11H,3-6,9H2,(H,25,26)
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| InChIKey |
NXLAQFZWXQNOCF-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: PT01589, Acyl-CoA desaturase 1
Protein ID: PT01587, Stearoyl-CoA desaturase