General Information of the Compound
| Compound ID |
CP0456738
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| Compound Name |
3-amino-5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C25H19BrF2N2O3
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| Molecular Weight |
513.338
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cc(N)cc(c1)C(O)=O
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| InChI |
InChI=1S/C25H19BrF2N2O3/c1-14-2-6-23(30(14)20-9-16(25(31)32)8-19(29)12-20)21-10-17(26)4-7-24(21)33-13-15-3-5-18(27)11-22(15)28/h2-12H,13,29H2,1H3,(H,31,32)
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| InChIKey |
GTPLSLNLPZUWKF-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