General Information of the Compound
| Compound ID |
CP0167039
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| Compound Name |
2-(4-chloro-6-((5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
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| Structure |
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| Formula |
C21H13ClF3NO4S
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| Molecular Weight |
467.852
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| Canonical SMILES |
OC(=O)Cc1csc2cc(OCc3cc(on3)-c3ccc(cc3)C(F)(F)F)cc(Cl)c12
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| InChI |
InChI=1S/C21H13ClF3NO4S/c22-16-7-15(8-18-20(16)12(10-31-18)5-19(27)28)29-9-14-6-17(30-26-14)11-1-3-13(4-2-11)21(23,24)25/h1-4,6-8,10H,5,9H2,(H,27,28)
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| InChIKey |
NYCOHPNFMJTKMD-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