General Information of the Compound
| Compound ID |
CP0862539
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| Compound Name |
3-(2-(2-(benzyloxy)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C25H21NO3
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| Molecular Weight |
383.447
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| Canonical SMILES |
Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C25H21NO3/c1-18-14-15-23(26(18)21-11-7-10-20(16-21)25(27)28)22-12-5-6-13-24(22)29-17-19-8-3-2-4-9-19/h2-16H,17H2,1H3,(H,27,28)
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| InChIKey |
AGAPITQLTSHAJC-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