General Information of the Compound
| Compound ID |
CP0463846
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| Compound Name |
6-N-(2-fluoro-4-methylsulfonylphenyl)-4-N-[(1R,5R)-8-(4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-5-nitropyrimidine-4,6-diamine
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| Structure |
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| Formula |
C24H24F2N6O6S2
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| Molecular Weight |
594.622
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C24H24F2N6O6S2/c1-39(35,36)19-8-9-21(20(26)12-19)30-24-22(32(33)34)23(27-13-28-24)29-15-10-16-4-5-17(11-15)31(16)40(37,38)18-6-2-14(25)3-7-18/h2-3,6-9,12-13,15-17H,4-5,10-11H2,1H3,(H2,27,28,29,30)/t16-,17-/m1/s1
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| InChIKey |
HDQIHYICYMWHOW-IAGOWNOFSA-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