General Information of the Compound
| Compound ID |
CP0251297
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| Compound Name |
N-[(1R,2R)-2-[[5-chloro-2-[(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide
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| Structure |
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| Formula |
C23H33ClN6O2S
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| Molecular Weight |
493.077
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| Canonical SMILES |
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
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| InChI |
InChI=1S/C23H33ClN6O2S/c1-3-30-12-10-16-8-9-18(14-17(16)11-13-30)26-23-25-15-19(24)22(28-23)27-20-6-4-5-7-21(20)29-33(2,31)32/h8-9,14-15,20-21,29H,3-7,10-13H2,1-2H3,(H2,25,26,27,28)/t20-,21-/m1/s1
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| InChIKey |
NKGBJFZCCPPWIY-NHCUHLMSSA-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