General Information of the Compound
| Compound ID |
CP0474970
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| Compound Name |
2-[4-[(2,3-dichlorophenyl)sulfonylamino]-3-methoxypyrazolo[3,4-d]pyrimidin-1-yl]acetic acid
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| Structure |
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| Formula |
C14H11Cl2N5O5S
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| Molecular Weight |
432.245
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| Canonical SMILES |
COc1nn(CC(O)=O)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C14H11Cl2N5O5S/c1-26-14-10-12(17-6-18-13(10)21(19-14)5-9(22)23)20-27(24,25)8-4-2-3-7(15)11(8)16/h2-4,6H,5H2,1H3,(H,22,23)(H,17,18,20)
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| InChIKey |
NKFFHONHDOSSTB-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