General Information of the Compound
| Compound ID |
CP0051693
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-5-benzyl-2-methyl-4-oxo-6,7-dihydropyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C30H28N2O5S
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| Molecular Weight |
528.63
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CCN(Cc3ccccc3)C2=O)n1CC(O)=O
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| InChI |
InChI=1S/C30H28N2O5S/c1-21-25(18-23-12-8-9-15-27(23)38(36,37)24-13-6-3-7-14-24)29-26(32(21)20-28(33)34)16-17-31(30(29)35)19-22-10-4-2-5-11-22/h2-15H,16-20H2,1H3,(H,33,34)
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| InChIKey |
LVIZOSBWGKBSCS-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