General Information of the Compound
| Compound ID |
CP0481943
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-2-methyl-4-oxo-5-(1,1,1-trifluoropropan-2-yl)-6,7-dihydropyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C26H25F3N2O5S
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| Molecular Weight |
534.556
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| Canonical SMILES |
CC(N1CCc2c(c(Cc3ccccc3S(=O)(=O)c3ccccc3)c(C)n2CC(O)=O)C1=O)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N2O5S/c1-16-20(14-18-8-6-7-11-22(18)37(35,36)19-9-4-3-5-10-19)24-21(31(16)15-23(32)33)12-13-30(25(24)34)17(2)26(27,28)29/h3-11,17H,12-15H2,1-2H3,(H,32,33)
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| InChIKey |
CLVQABDKMKSHTQ-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