General Information of the Compound
| Compound ID |
CP0451070
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| Compound Name |
3-[2-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]propanoic acid
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| Structure |
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| Formula |
C19H18BrFN4O4S
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| Molecular Weight |
497.346
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| Canonical SMILES |
OC(=O)CCc1nc2nc(sc2c(=O)[nH]1)N1CCC(CC1)Oc1cc(F)ccc1Br
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| InChI |
InChI=1S/C19H18BrFN4O4S/c20-12-2-1-10(21)9-13(12)29-11-5-7-25(8-6-11)19-24-17-16(30-19)18(28)23-14(22-17)3-4-15(26)27/h1-2,9,11H,3-8H2,(H,26,27)(H,22,23,28)
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| InChIKey |
ZMNCGKQJUYNKMG-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