General Information of the Compound
| Compound ID |
CP0921558
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| Compound Name |
3-(2-(2-(2,4-difluorobenzyloxy)-5-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C25H15ClF5NO3
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| Molecular Weight |
507.842
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| Canonical SMILES |
O=C(O)c1cccc(-n2c(-c3cc(Cl)ccc3OCc3ccc(F)cc3F)ccc2C(F)(F)F)c1
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| InChI |
InChI=1S/C25H15ClF5NO3/c26-16-5-8-22(35-13-15-4-6-17(27)12-20(15)28)19(11-16)21-7-9-23(25(29,30)31)32(21)18-3-1-2-14(10-18)24(33)34/h1-12H,13H2,(H,33,34)
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| InChIKey |
KJNMYJDOGAOFGZ-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