General Information of the Compound
| Compound ID |
CP0910605
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| Compound Name |
2-(2-(benzyloxy)phenyl)-5-methyl-1-(3-(methylsulfonyl)phenyl)-1H-pyrrole
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| Structure |
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| Formula |
C25H23NO3S
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| Molecular Weight |
417.53
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| Canonical SMILES |
Cc1ccc(-c2ccccc2OCc2ccccc2)n1-c1cccc(S(C)(=O)=O)c1
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| InChI |
InChI=1S/C25H23NO3S/c1-19-15-16-24(26(19)21-11-8-12-22(17-21)30(2,27)28)23-13-6-7-14-25(23)29-18-20-9-4-3-5-10-20/h3-17H,18H2,1-2H3
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| InChIKey |
URIVFCUMKNOLFX-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