General Information of the Compound
| Compound ID |
CP0526680
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| Compound Name |
3-amino-5-[2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C27H25FN2O3
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| Molecular Weight |
444.506
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| Canonical SMILES |
Cc1ccc(-c2cc(C)ccc2OCc2ccc(F)cc2)n1-c1cc(N)c(C)c(c1)C(O)=O
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| InChI |
InChI=1S/C27H25FN2O3/c1-16-4-11-26(33-15-19-6-8-20(28)9-7-19)23(12-16)25-10-5-17(2)30(25)21-13-22(27(31)32)18(3)24(29)14-21/h4-14H,15,29H2,1-3H3,(H,31,32)
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| InChIKey |
BTXOWLVLHSEQDY-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