General Information of the Compound
| Compound ID |
CP0499542
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| Compound Name |
2-[5-[3-[4-(2-bromo-5-fluorophenoxy)butoxy]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C16H15BrFN5O5
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| Molecular Weight |
456.228
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cc(OCCCCOc2cc(F)ccc2Br)no1
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| InChI |
InChI=1S/C16H15BrFN5O5/c17-11-4-3-10(18)7-12(11)26-5-1-2-6-27-14-8-13(28-21-14)16-19-22-23(20-16)9-15(24)25/h3-4,7-8H,1-2,5-6,9H2,(H,24,25)
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| InChIKey |
QJNCFCLBUYBNAC-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