General Information of the Compound
| Compound ID |
CP0437986
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| Compound Name |
2-[5-[2-[3-(2-bromo-5-fluorophenoxy)propoxy]-4-methyl-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C16H15BrFN5O4S
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| Molecular Weight |
472.296
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| Canonical SMILES |
Cc1nc(OCCCOc2cc(F)ccc2Br)sc1-c1nnn(CC(O)=O)n1
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| InChI |
InChI=1S/C16H15BrFN5O4S/c1-9-14(15-20-22-23(21-15)8-13(24)25)28-16(19-9)27-6-2-5-26-12-7-10(18)3-4-11(12)17/h3-4,7H,2,5-6,8H2,1H3,(H,24,25)
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| InChIKey |
BSHDMLFQVXKHGJ-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