General Information of the Compound
| Compound ID |
CP0875506
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| Compound Name |
3-(2-(2-(benzyloxy)-5-(thiophen-3-yl)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C29H23NO3S
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| Molecular Weight |
465.574
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| Canonical SMILES |
Cc1ccc(-c2cc(-c3ccsc3)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C29H23NO3S/c1-20-10-12-27(30(20)25-9-5-8-23(16-25)29(31)32)26-17-22(24-14-15-34-19-24)11-13-28(26)33-18-21-6-3-2-4-7-21/h2-17,19H,18H2,1H3,(H,31,32)
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| InChIKey |
GJQTXTVYIOQFCT-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