General Information of the Compound
| Compound ID |
CP0580024
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| Compound Name |
N-(cyclopropylmethyl)-4-[[7-(2,6-difluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C24H24F2N6O3S
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| Molecular Weight |
514.558
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCC3CC3)nc12)c1c(F)cccc1F
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| InChI |
InChI=1S/C24H24F2N6O3S/c1-31-19-13-27-24(29-15-8-10-16(11-9-15)36(34,35)28-12-14-6-7-14)30-22(19)32(2)21(23(31)33)20-17(25)4-3-5-18(20)26/h3-5,8-11,13-14,21,28H,6-7,12H2,1-2H3,(H,27,29,30)
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| InChIKey |
OJDAPOGJFHOPNZ-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