General Information of the Compound
| Compound ID |
CP0455582
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-2,2-dioxo-[1,2,5]thiadiazolo[3,4-b]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C20H17N3O6S2
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| Molecular Weight |
459.505
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| Canonical SMILES |
OC(=O)CN1c2cccnc2N(Cc2ccccc2S(=O)(=O)c2ccccc2)S1(=O)=O
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| InChI |
InChI=1S/C20H17N3O6S2/c24-19(25)14-22-17-10-6-12-21-20(17)23(31(22,28)29)13-15-7-4-5-11-18(15)30(26,27)16-8-2-1-3-9-16/h1-12H,13-14H2,(H,24,25)
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| InChIKey |
PAQZZOZDTFXOHR-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