General Information of the Compound
| Compound ID |
CP0578241
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| Compound Name |
4-[[5,8-dimethyl-7-(2-methylpropyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C18H24N6O3S
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| Molecular Weight |
404.496
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| Canonical SMILES |
CC(C)CC1N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc2N(C)C1=O
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| InChI |
InChI=1S/C18H24N6O3S/c1-11(2)9-14-17(25)24(4)15-10-20-18(22-16(15)23(14)3)21-12-5-7-13(8-6-12)28(19,26)27/h5-8,10-11,14H,9H2,1-4H3,(H2,19,26,27)(H,20,21,22)
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| InChIKey |
FWNYUNNYPOWOMW-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