General Information of the Compound
| Compound ID |
CP0500444
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| Compound Name |
3-amino-5-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C26H23ClN2O3
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| Molecular Weight |
446.934
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(N)c(C)c(c1)C(O)=O
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| InChI |
InChI=1S/C26H23ClN2O3/c1-16-8-10-24(29(16)20-13-21(26(30)31)17(2)23(28)14-20)22-12-19(27)9-11-25(22)32-15-18-6-4-3-5-7-18/h3-14H,15,28H2,1-2H3,(H,30,31)
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| InChIKey |
DVZAUXRJUZQTOP-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