General Information of the Compound
| Compound ID |
CP0536352
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| Compound Name |
3-amino-5-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C27H22F4N2O3
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| Molecular Weight |
498.476
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| Canonical SMILES |
Cc1ccc(-c2cc(ccc2OCc2ccc(F)cc2)C(F)(F)F)n1-c1cc(N)c(C)c(c1)C(O)=O
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| InChI |
InChI=1S/C27H22F4N2O3/c1-15-3-9-24(33(15)20-12-21(26(34)35)16(2)23(32)13-20)22-11-18(27(29,30)31)6-10-25(22)36-14-17-4-7-19(28)8-5-17/h3-13H,14,32H2,1-2H3,(H,34,35)
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| InChIKey |
VJXHZDZHEPSJLA-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