General Information of the Compound
| Compound ID |
CP0457170
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| Compound Name |
2-[5-[2-[3-[2-bromo-5-(trifluoromethoxy)phenoxy]propoxy]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C16H13BrF3N5O5S
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| Molecular Weight |
524.275
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cnc(OCCCOc2cc(OC(F)(F)F)ccc2Br)s1
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| InChI |
InChI=1S/C16H13BrF3N5O5S/c17-10-3-2-9(30-16(18,19)20)6-11(10)28-4-1-5-29-15-21-7-12(31-15)14-22-24-25(23-14)8-13(26)27/h2-3,6-7H,1,4-5,8H2,(H,26,27)
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| InChIKey |
BOINOOJVPIKLSZ-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