General Information of the Compound
| Compound ID |
CP0192068
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| Compound Name |
2-[7-[[2-(benzenesulfonyl)phenyl]methyl]-6-methylpyrrolo[1,2-c]pyrimidin-5-yl]acetic acid
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| Structure |
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| Formula |
C23H20N2O4S
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| Molecular Weight |
420.49
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccncn2c1Cc1ccccc1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H20N2O4S/c1-16-19(14-23(26)27)20-11-12-24-15-25(20)21(16)13-17-7-5-6-10-22(17)30(28,29)18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H,26,27)
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| InChIKey |
RVDOECSZSQKQJA-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