General Information of the Compound
| Compound ID |
CP0071846
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| Compound Name |
N-[(1R,2R)-2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide
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| Structure |
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| Formula |
C22H31ClN6O4S
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| Molecular Weight |
511.048
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1
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| InChI |
InChI=1S/C22H31ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h7-8,13-14,17-18,28H,3-6,9-12H2,1-2H3,(H2,24,25,26,27)/t17-,18-/m1/s1
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| InChIKey |
HNIJEISPKOYRAL-QZTJIDSGSA-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