General Information of the Compound
| Compound ID |
CP0095967
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| Compound Name |
3-[[(Z)-(2-butoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C20H22N2O5S
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| Molecular Weight |
402.472
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| Canonical SMILES |
CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
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| InChI |
InChI=1S/C20H22N2O5S/c1-2-3-11-26-20-17(19(23)16-9-4-5-10-18(16)27-20)13-22-14-7-6-8-15(12-14)28(21,24)25/h4-10,12-13,20,22H,2-3,11H2,1H3,(H2,21,24,25)/b17-13+
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| InChIKey |
DYGQAEBFAYNYOG-GHRIWEEISA-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase