General Information of the Compound
| Compound ID |
CP0579958
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| Compound Name |
4-[(5,8-dimethyl-6-oxo-7-propan-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
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| Structure |
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| Formula |
C17H22N6O3S
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| Molecular Weight |
390.469
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| Canonical SMILES |
CC(C)C1N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
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| InChI |
InChI=1S/C17H22N6O3S/c1-10(2)14-16(24)22(3)13-9-19-17(21-15(13)23(14)4)20-11-5-7-12(8-6-11)27(18,25)26/h5-10,14H,1-4H3,(H2,18,25,26)(H,19,20,21)
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| InChIKey |
PKOVBJPNKDQULA-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