General Information of the Compound
| Compound ID |
CP0388326
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| Compound Name |
cyclopropylmethyl (1R,5R)-3-[[6-(2-fluoro-4-methylsulfonylanilino)-5-nitropyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C23H27FN6O6S
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| Molecular Weight |
534.57
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+]([O-])=O)c(F)c1
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| InChI |
InChI=1S/C23H27FN6O6S/c1-37(34,35)17-6-7-19(18(24)10-17)28-22-20(30(32)33)21(25-12-26-22)27-14-8-15-4-5-16(9-14)29(15)23(31)36-11-13-2-3-13/h6-7,10,12-16H,2-5,8-9,11H2,1H3,(H2,25,26,27,28)/t15-,16-/m1/s1
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| InChIKey |
MCYJJFUPXFKYIJ-HZPDHXFCSA-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