General Information of the Compound
| Compound ID |
CP0910942
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| Compound Name |
3-[2-(4-Benzyloxy-biphenyl-3-yl)-5-methyl-pyrrol-1-yl]-benzoic acid
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| Structure |
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| Formula |
C31H25NO3
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| Molecular Weight |
459.545
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| Canonical SMILES |
Cc1ccc(-c2cc(-c3ccccc3)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C31H25NO3/c1-22-15-17-29(32(22)27-14-8-13-26(19-27)31(33)34)28-20-25(24-11-6-3-7-12-24)16-18-30(28)35-21-23-9-4-2-5-10-23/h2-20H,21H2,1H3,(H,33,34)
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| InChIKey |
FKPPHUTZSHDBHA-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