General Information of the Compound
| Compound ID |
CP0388324
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| Compound Name |
6-N-(2-fluoro-4-methylsulfonylphenyl)-4-N-[(1R,5R)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-nitropyrimidine-4,6-diamine
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| Structure |
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| Formula |
C19H23FN6O6S2
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| Molecular Weight |
514.561
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| Canonical SMILES |
CS(=O)(=O)N1[C@@H]2CC[C@@H]1CC(C2)Nc1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1[N+]([O-])=O
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| InChI |
InChI=1S/C19H23FN6O6S2/c1-33(29,30)14-5-6-16(15(20)9-14)24-19-17(26(27)28)18(21-10-22-19)23-11-7-12-3-4-13(8-11)25(12)34(2,31)32/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,21,22,23,24)/t12-,13-/m1/s1
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| InChIKey |
CIELFWMLAZJNMV-CHWSQXEVSA-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