General Information of the Compound
| Compound ID |
CP0388325
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| Compound Name |
cyclopropylmethyl (1R,5R)-3-[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C23H26FN5O7S
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| Molecular Weight |
535.554
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C23H26FN5O7S/c1-37(33,34)17-6-7-19(18(24)10-17)27-21-20(29(31)32)22(26-12-25-21)36-16-8-14-4-5-15(9-16)28(14)23(30)35-11-13-2-3-13/h6-7,10,12-16H,2-5,8-9,11H2,1H3,(H,25,26,27)/t14-,15-/m1/s1
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| InChIKey |
XCVJFKBEJKZIRB-HUUCEWRRSA-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